NZ744393B2 - Pyrimidine seven-membered-ring compounds, preparation method therefor, pharmaceutical composition thereof, and uses thereof - Google Patents
Pyrimidine seven-membered-ring compounds, preparation method therefor, pharmaceutical composition thereof, and uses thereof Download PDFInfo
- Publication number
- NZ744393B2 NZ744393B2 NZ744393A NZ74439317A NZ744393B2 NZ 744393 B2 NZ744393 B2 NZ 744393B2 NZ 744393 A NZ744393 A NZ 744393A NZ 74439317 A NZ74439317 A NZ 74439317A NZ 744393 B2 NZ744393 B2 NZ 744393B2
- Authority
- NZ
- New Zealand
- Prior art keywords
- piperazinyl
- amino
- formyl
- piperidinyl
- alkyl
- Prior art date
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- 150000001875 compounds Chemical class 0.000 title abstract description 147
- 238000002360 preparation method Methods 0.000 title abstract description 23
- 239000008194 pharmaceutical composition Substances 0.000 title abstract description 14
- CZPWVGJYEJSRLH-UHFFFAOYSA-N 289-95-2 Chemical compound C1=CN=CN=C1 CZPWVGJYEJSRLH-UHFFFAOYSA-N 0.000 title description 2
- 102000001253 Protein Kinases Human genes 0.000 abstract description 32
- 201000010099 disease Diseases 0.000 abstract description 23
- 230000000694 effects Effects 0.000 abstract description 22
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- 101700067592 MST1 Proteins 0.000 abstract description 19
- 230000002401 inhibitory effect Effects 0.000 abstract description 11
- 230000008929 regeneration Effects 0.000 abstract description 11
- 238000011069 regeneration method Methods 0.000 abstract description 11
- 210000001519 tissues Anatomy 0.000 abstract description 9
- 239000003814 drug Substances 0.000 abstract description 8
- 230000004663 cell proliferation Effects 0.000 abstract description 7
- 230000003405 preventing Effects 0.000 abstract description 7
- 206010061255 Ischaemia Diseases 0.000 abstract description 6
- 210000000130 stem cell Anatomy 0.000 abstract description 6
- 206010062016 Immunosuppression Diseases 0.000 abstract description 5
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- 230000001506 immunosuppresive Effects 0.000 abstract description 5
- 210000000056 organs Anatomy 0.000 abstract description 5
- 229940079593 drugs Drugs 0.000 abstract description 4
- 230000007348 cell dedifferentiation Effects 0.000 abstract description 3
- 230000001058 adult Effects 0.000 abstract 2
- -1 N-dimethylamino-piperidinyl Chemical group 0.000 description 1329
- 229910052757 nitrogen Inorganic materials 0.000 description 305
- 125000004093 cyano group Chemical group *C#N 0.000 description 230
- 229910052736 halogen Inorganic materials 0.000 description 194
- 150000002367 halogens Chemical group 0.000 description 194
- 125000004169 (C1-C6) alkyl group Chemical group 0.000 description 184
- 239000001257 hydrogen Substances 0.000 description 119
- 229910052739 hydrogen Inorganic materials 0.000 description 119
- 125000004193 piperazinyl group Chemical group 0.000 description 103
- 239000011780 sodium chloride Substances 0.000 description 87
- 125000000753 cycloalkyl group Chemical group 0.000 description 81
- 125000003386 piperidinyl group Chemical group 0.000 description 79
- 150000003839 salts Chemical class 0.000 description 62
- UFHFLCQGNIYNRP-UHFFFAOYSA-N hydrogen Chemical compound [H][H] UFHFLCQGNIYNRP-UHFFFAOYSA-N 0.000 description 60
- 238000006243 chemical reaction Methods 0.000 description 56
- 150000002431 hydrogen Chemical class 0.000 description 53
- 229910052760 oxygen Inorganic materials 0.000 description 39
- 125000005843 halogen group Chemical group 0.000 description 37
- 125000000623 heterocyclic group Chemical group 0.000 description 36
- QTBSBXVTEAMEQO-UHFFFAOYSA-N acetic acid Chemical compound CC(O)=O QTBSBXVTEAMEQO-UHFFFAOYSA-N 0.000 description 34
- 239000001301 oxygen Substances 0.000 description 30
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- MYMOFIZGZYHOMD-UHFFFAOYSA-N oxygen Chemical compound O=O MYMOFIZGZYHOMD-UHFFFAOYSA-N 0.000 description 29
- 108091000081 Phosphotransferases Proteins 0.000 description 27
- 125000000217 alkyl group Chemical group 0.000 description 25
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- 239000012453 solvate Substances 0.000 description 17
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- 125000004397 aminosulfonyl group Chemical group NS(=O)(=O)* 0.000 description 16
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- 125000004568 thiomorpholinyl group Chemical group 0.000 description 14
- 125000003554 tetrahydropyrrolyl group Chemical group 0.000 description 13
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- 125000003118 aryl group Chemical group 0.000 description 12
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- VZCYOOQTPOCHFL-UPHRSURJSA-L maleate(2-) Chemical compound [O-]C(=O)\C=C/C([O-])=O VZCYOOQTPOCHFL-UPHRSURJSA-L 0.000 description 12
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- 125000002757 morpholinyl group Chemical group 0.000 description 12
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- PMPVIKIVABFJJI-UHFFFAOYSA-N cyclobutane Chemical compound C1CCC1 PMPVIKIVABFJJI-UHFFFAOYSA-N 0.000 description 1
- XDTMQSROBMDMFD-UHFFFAOYSA-N cyclohexane Chemical compound C1CCCCC1 XDTMQSROBMDMFD-UHFFFAOYSA-N 0.000 description 1
- RGSFGYAAUTVSQA-UHFFFAOYSA-N cyclopentane Chemical compound C1CCCC1 RGSFGYAAUTVSQA-UHFFFAOYSA-N 0.000 description 1
- 125000006312 cyclopentyl amino group Chemical group [H]N(*)C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H] 0.000 description 1
- LVZWSLJZHVFIQJ-UHFFFAOYSA-N cyclopropane Chemical compound C1CC1 LVZWSLJZHVFIQJ-UHFFFAOYSA-N 0.000 description 1
- 239000003405 delayed action preparation Substances 0.000 description 1
- 125000004473 dialkylaminocarbonyl group Chemical group 0.000 description 1
- 125000004472 dialkylaminosulfonyl group Chemical group 0.000 description 1
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- 125000004986 diarylamino group Chemical group 0.000 description 1
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- 230000004069 differentiation Effects 0.000 description 1
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- 239000002270 dispersing agent Substances 0.000 description 1
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- 125000002541 furyl group Chemical group 0.000 description 1
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- 235000013773 glyceryl triacetate Nutrition 0.000 description 1
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- 125000004446 heteroarylalkyl group Chemical group 0.000 description 1
- 125000000592 heterocycloalkyl group Chemical group 0.000 description 1
- 125000006517 heterocyclyl carbonyl group Chemical group 0.000 description 1
- 125000004415 heterocyclylalkyl group Chemical group 0.000 description 1
- 125000004051 hexyl group Chemical group [H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])* 0.000 description 1
- 230000017945 hippo signaling cascade Effects 0.000 description 1
- 235000001050 hortel pimenta Nutrition 0.000 description 1
- FUKUFMFMCZIRNT-UHFFFAOYSA-N hydron;methanol;chloride Chemical compound Cl.OC FUKUFMFMCZIRNT-UHFFFAOYSA-N 0.000 description 1
- 229960002411 imatinib Drugs 0.000 description 1
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- WRYCSMQKUKOKBP-UHFFFAOYSA-N imidazolidine Chemical compound C1CNCN1 WRYCSMQKUKOKBP-UHFFFAOYSA-N 0.000 description 1
- 238000003364 immunohistochemistry Methods 0.000 description 1
- 238000000338 in vitro Methods 0.000 description 1
- 125000003453 indazolyl group Chemical group N1N=C(C2=C1C=CC=C2)* 0.000 description 1
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- 239000003701 inert diluent Substances 0.000 description 1
- 200000000018 inflammatory disease Diseases 0.000 description 1
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- 239000003112 inhibitor Substances 0.000 description 1
- 239000007972 injectable composition Substances 0.000 description 1
- 229910052500 inorganic mineral Inorganic materials 0.000 description 1
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- 238000001990 intravenous administration Methods 0.000 description 1
- PNDPGZBMCMUPRI-UHFFFAOYSA-N iodine Chemical compound II PNDPGZBMCMUPRI-UHFFFAOYSA-N 0.000 description 1
- 239000011630 iodine Substances 0.000 description 1
- ZCYVEMRRCGMTRW-UHFFFAOYSA-N iodine atom Chemical group [I] ZCYVEMRRCGMTRW-UHFFFAOYSA-N 0.000 description 1
- 238000005040 ion trap Methods 0.000 description 1
- 238000000534 ion trap mass spectrometry Methods 0.000 description 1
- 150000002500 ions Chemical class 0.000 description 1
- 125000004594 isoindolinyl group Chemical group C1(NCC2=CC=CC=C12)* 0.000 description 1
- 125000000555 isopropenyl group Chemical group [H]\C([H])=C(\*)C([H])([H])[H] 0.000 description 1
- 125000002183 isoquinolinyl group Chemical group C1(=NC=CC2=CC=CC=C12)* 0.000 description 1
- 125000001786 isothiazolyl group Chemical group 0.000 description 1
- 239000007951 isotonicity adjuster Substances 0.000 description 1
- 125000000842 isoxazolyl group Chemical group 0.000 description 1
- 239000003041 laboratory chemical Substances 0.000 description 1
- GUBGYTABKSRVRQ-XLOQQCSPSA-N lactose Chemical compound O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)O[C@H](O)[C@H](O)[C@H]1O GUBGYTABKSRVRQ-XLOQQCSPSA-N 0.000 description 1
- 239000008101 lactose Substances 0.000 description 1
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- 235000019359 magnesium stearate Nutrition 0.000 description 1
- 238000001819 mass spectrum Methods 0.000 description 1
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- AFVFQIVMOAPDHO-UHFFFAOYSA-N methanesulfonic acid Chemical compound CS(O)(=O)=O AFVFQIVMOAPDHO-UHFFFAOYSA-N 0.000 description 1
- 125000006261 methyl amino sulfonyl group Chemical group [H]N(C([H])([H])[H])S(*)(=O)=O 0.000 description 1
- 239000004292 methyl p-hydroxybenzoate Substances 0.000 description 1
- 235000010270 methyl p-hydroxybenzoate Nutrition 0.000 description 1
- 229960002216 methylparaben Drugs 0.000 description 1
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- XONPDZSGENTBNJ-UHFFFAOYSA-N molecular hydrogen;sodium Chemical compound [Na].[H][H] XONPDZSGENTBNJ-UHFFFAOYSA-N 0.000 description 1
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- 238000010172 mouse model Methods 0.000 description 1
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- 239000002077 nanosphere Substances 0.000 description 1
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- 230000016273 neuron death Effects 0.000 description 1
- 239000002547 new drug Substances 0.000 description 1
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- 125000006574 non-aromatic ring group Chemical group 0.000 description 1
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- 230000002018 overexpression Effects 0.000 description 1
- 230000001590 oxidative Effects 0.000 description 1
- 125000004043 oxo group Chemical group O=* 0.000 description 1
- 125000005740 oxycarbonyl group Chemical group [*:1]OC([*:2])=O 0.000 description 1
- 150000002926 oxygen Chemical class 0.000 description 1
- 125000004430 oxygen atoms Chemical group O* 0.000 description 1
- 229910052763 palladium Inorganic materials 0.000 description 1
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- NJRWNWYFPOFDFN-UHFFFAOYSA-L phosphonate(2-) Chemical compound [O-][P]([O-])=O NJRWNWYFPOFDFN-UHFFFAOYSA-L 0.000 description 1
- 229910052698 phosphorus Inorganic materials 0.000 description 1
- 230000001766 physiological effect Effects 0.000 description 1
- 229960005141 piperazine Drugs 0.000 description 1
- 150000004885 piperazines Chemical group 0.000 description 1
- 125000004482 piperidin-4-yl group Chemical group N1CCC(CC1)* 0.000 description 1
- NQRYJNQNLNOLGT-UHFFFAOYSA-N piperidine Chemical compound C1CCNCC1 NQRYJNQNLNOLGT-UHFFFAOYSA-N 0.000 description 1
- 229920001690 polydopamine Polymers 0.000 description 1
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- 150000003077 polyols Chemical class 0.000 description 1
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- 102000004169 proteins and genes Human genes 0.000 description 1
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- WTKZEGDFNFYCGP-UHFFFAOYSA-N pyrazole Chemical compound C=1C=NNC=1 WTKZEGDFNFYCGP-UHFFFAOYSA-N 0.000 description 1
- 125000002098 pyridazinyl group Chemical group 0.000 description 1
- JUJWROOIHBZHMG-UHFFFAOYSA-N pyridine Chemical group C1=CC=NC=C1 JUJWROOIHBZHMG-UHFFFAOYSA-N 0.000 description 1
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Abstract
The present invention relates to compounds (II) capable of inhibiting the Mst1/2 protein kinase activity, a preparation method therefor, a pharmaceutical composition comprising the compounds, and uses of the compounds and the pharmaceutical composition comprising the compounds in the preparation of drugs for prompting repair and regeneration of tissues and organs, prompting stem cell proliferation and adult cell dedifferentiation, immunosuppression, and preventing or treating diseases related to nervous disorders in organisms, and local ischemia diseases. drugs for prompting repair and regeneration of tissues and organs, prompting stem cell proliferation and adult cell dedifferentiation, immunosuppression, and preventing or treating diseases related to nervous disorders in organisms, and local ischemia diseases.
Description
PYRIMIDINE SEVEN-MEMBERED RING COMPOUNDS, PREPARATION METHOD
THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USES THEREOF
TECHNICAL FIELD
The present invention relates to the field of pharmaceutical chemistry, in particular, it relates to a class
of compounds capable of inhibiting Mst1/2 protein kinase activity, the method for production thereof,
pharmaceutical composition comprising these compounds, the use of these compounds and pharmaceutical
composition for manufacturing medicament for promoting tissue or organ regeneration and repair, promoting
stem cell proliferation and somatic cell differentiation, promoting immune suppression, preventing or treating
neurological disorder related diseases and local ischemia.
BACKGROUND TECHNOLOGY
Phosphorylation of substrates by protein kinase played a key role in cell signaling, involving almost
all aspects of cell physiology (Science, 2002,298, p1912-1934). Kinase over expression and malfunction are
closely associated with cancer, metabolic diseases, neurodegenerative disorders and inflammatory diseases. In
2001, the successful launch of first Bcr-Abl kinase inhibitor Gleevec® for treatment of chronic myelocytic
leukemia started the era of targeted anticancer drugs (Nat. Rev. Cancer, 2009, 9, p28-39). Over the past
decade, the kinases have become the second largest drug target class for development of new drugs by
pharmaceutical companies. There are more than 32 small-molecule kinase inhibitors that have been approved
by the US FDA for clinic use.
Studies have shown that, Hippo signaling pathway plays an important role in regulating differentiation
and proliferation of tissue stem cells, controlling organ size and maintaining tissue homeostasis (Cell Biosci,
2013,3, p34; Nat Cell Biol. 2011,13 (8), p877-83.). Conditional knockout the key kinase in Hippo signaling
Mst1/2 protein kinase can promote liver regeneration (Cancer Cell, 2009,16, p425-438), and
immunosuppression (J.Exp.Med.2012,209, p741-759). Reducing Mst1/2 kinase protein level or enzymatic
activity helps reducing neuronal cell death, and thus be useful for prevention and treatment of neurological
disorders or neurodegenerative diseases, including Alzheimer's disease, multiple sclerosis, Parkinson's disease,
stroke, etc. (Cell 2006,125, p987-1001); and oxidizing stress-related myocardial ischemia and peripheral
ischemia (US 2008/0242608).
Thus, the development of small molecule inhibitors of Mst1/2 protein kinase will be used for
treatment of Mst1/2 kinase associated diseases, including promotion of regeneration and repair of tissues and
organs, immunosuppression, preventing or treating neurological disorder related diseases and local ischemia,
which have significant economic and social value.
SUMMARY OF INVENTION
In order to find highly selectively Mst kinase inhibitors, after extensive research, the inventors
designed and synthesized a series of structurally novel and highly safe plurality substituted pyrimidine
seven member ring derivatives that inhibit Mst1/2 kinase, and studied their activity in promoting tissue
regeneration and repair.
Accordingly, the present invention provides compounds having the following formula:
or the stereoisomer of the above compounds, a prodrug thereof, a pharmaceutically acceptable salt
thereof, or a pharmaceutically acceptable solvate thereof.
More particularly, the present invention provides compounds of the following formula (I-IV):
or a stereoisomer of the above compounds, a prodrug thereof, a pharmaceutically acceptable salt thereof,
or a pharmaceutically acceptable solvate thereof.
In a particular aspect, the present invention provides a compound that inhibits MST1/2 kinase
activity and having the following formula:
[FOLLOWED BY PAGE 2a]
wherein
R is selected from:
4-N, N-dimethylamino-piperidinyl, 4-N, N-diethylamino-piperidinyl, 4-N, N-diisopropylamino-
piperidinyl, 4-hydroxyl-piperidinyl, amino, cyclopropylamino, cyclobutylamino, cyclopentylamino,
cyclohexylamino, N, N-dimethylamino, N, N-diethylamino, N-methyl-piperazinyl, N-ethyl-piperazinyl,
N-isopropyl-piperazinyl, C1-C6 alkyl, -O-C6-C10 aryl group;
R is selected from:
hydrogen, C1-C6 alkyl;
R is selected from:
hydrogen, C1-C6 alkyl
or a pharmaceutically acceptable salt thereof.
In another particular aspect, the present invention provides a compound that inhibits MST1/2 kinase
activity and having the following formula:
wherein
R R independently selected from:
, 25
1) hydrogen;
[FOLLOWED BY PAGE 2b]
2) -SO C1-C6 alkyl, -SO C2-C6 alkenyl, -COC1-C6 alkyl, optionally substituted by halogen; -COC2-
C6 alkenyl; or
R and R together with the N atom to which they are attached form a piperidine ring, a piperazine
15
ring, a piperidine ring, a piperazine ring, and a piperazine ring substituted with C1-C6 alkyl or hydroxyl;
R is selected from C1-C6 alkyl;
R is selected from C1-C6 alkyl;
or a pharmaceutically acceptable salt thereof.
In a yet further particular aspect, the present invention provides a compound that inhibits MST1/2 kinase
activity and having the following formula:
wherein
R is selected from:
1) hydrogen, C1-C6 alkyl, C1-C6 alkyl substituted by halogen;
2) -COC1-C6 alkyl, COC1-C6 alkyl substituted by halogen; -COC2-C6 alkenyl;
R is selected from: hydrogen; C1-C6 alkyl;
R is selected from: hydrogen; C1-C6 alkyl;
or a pharmaceutically acceptable salt thereof.
In a yet further particular aspect, the present invention provides a compound that inhibits MST1/2 kinase
activity and having the following formula:
[FOLLOWED BY PAGE 2c]
wherein
R is selected from:
1) hydrogen, C1-C6 alkyl, C1-C6 alkyl substituted by halogen;
2) -COC1-C6 alkyl, -COC1-C6 alkyl substituted by halogen; -COC2-C6 alkenyl;
R is selected from:
hydrogen; C1-C6 alkyl;
R is selected from:
hydrogen; C1-C6 alkyl;
or a pharmaceutically acceptable salt thereof.
In a yet further particular aspect, the present invention provides a compound that inhibits MST1/2 kinase
activity and having the following formula:
wherein
R is selected from:
[FOLLOWED BY PAGE 2d]
amino, cyclopropylamino, cyclobutylamino, cyclopentylamino, cyclohexylamino, N, N-dimethylamino,
N, N-diethylamino, N, N-diisopropylamino, C1-C6 alkyl;
R is selected from:
hydrogen
R is selected from: hydrogen; C1-C6 alkyl;
R is selected from: hydrogen; C1-C6 alkyl;
or a pharmaceutically acceptable salt thereof.
In a yet further particular aspect, the present invention provides a compound that inhibits MST1/2 kinase
activity and selected from the following:
[FOLLOWED BY PAGE 2e]
[FOLLOWED BY PAGE 2f]
[FOLLOWED BY PAGE 2g]
or a pharmaceutically acceptable salt thereof.
[FOLLOWED BY PAGE 2h]
Wherein the definition of the substituents and symbols are described in detail below.
An objective of the present invention is to provide a class of compound and stereoisomers
thereof, a prodrug thereof, a pharmaceutically acceptable salt thereof, or a pharmaceutically acceptable
solvate thereof for inhibiting Mst1/2 kinase activity.
[FOLLOWED BY PAGE 3]
Another objective of the present invention is to provide a method for preparing the above
compounds.
Another objective of the present invention is to provide a pharmaceutical composition comprising
the above compounds.
Another objective of the present invention is to provide use of such compounds and
pharmaceutical compositions comprising said compounds in manufacture medicament for promoting
tissue repair and organ regeneration, promoting stem cell proliferation and somatic cell differentiation,
immune suppression, prevention or treatment of neurological disorder related diseases and vascular
diseases associated with local ischemia.
BRIEF DESCRIPTION OF DRAWINGS
Figure 1 is a schematic representative the enzyme-linked immunosorbent assay for measuring the
Mst1/2 kinase activity.
Figure 2 illustrates that the compound II-1 is effective in promoting regeneration of liver after
partial liver lobe resection. After liver lobe resection, mice were injected with compound II-1 (1mg / kg
body weight) or control solvent twice daily, a) shows the ratio of liver and body weight; b) the percentage
of Ki67 positive regenerated liver cells in liver tissue slices. Student's t-test in comparing drug-treated
group and control group, * P <0.05, *** P <0.001.
Figure 3 illustrates that compound II-1 can effectively promote intestinal repair in DSS-induced
intestinal injury animal model. Mice fed with DSS for 1-7 days were injected with a compound II-1 (1mg
/ kg body weight) or control solvent once daily, a) shows body weight percentage change; b) shows daily
DAI values ; c) shows intestinal tissue of treatment group and control group after Yap, BrdU and Ki67
immunohistochemical staining; d) and e) show percentage of BrdU positive cells and Ki67 positive cells
in the intestinal tissue of the treatment group and control group. Student's t-test in comparing drug-treated
group and the control group, * P <0.05, *** P <0.001.
DETAILED DESCRIPTION
This paper describes various specific embodiments and examples, including exemplary
embodiments and definitions for understanding the present invention. While the following detailed
description gives specific preferred embodiments, those skilled in the art will appreciate that these
embodiments are merely exemplary, and the present invention may be practiced in other ways. For
purposes of determining infringement, the scope of the present invention encompasses any one or more of
the appended claims, including equivalents of the substance, elements or limitations as described herein.
The present invention is achieved by the following technical solutions.
A first aspect, the present invention provides a compound represented by the following general
formula:
among them, R is selected:
1) C1-C6 alkyl, optionally substituted by halogen, nitro, cyano; C1-C6 alkyl group containing oxygen;
C3-C7 cycloalkyl, which is optionally substituted by halogen, nitro, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; -O-C3-C7 cycloalkyl, which is optionally substituted with
halogen, nitro, amino, cyano; C6-C10 aryl, which is optionally substituted by halogen, nitro, amino,
cyano; -O-C6-C10 aryl, which is optionally substituted by halogen, nitro, amino, cyano; C2-C6 alkenyl
group;
2) 3-N, N-dimethylamino-propenyl, 3-pyrrolidin-propenyl;
3) amino, cyclopropylamino, cyclobutylamino, cyclopentylamino, cyclohexylamino, N, N-
dimethylamino, N, N-diethylamino, N, N-diisopropylamino, 2-N, N-dimethyl-ehthylamino, 2-
hydroxyethylamino, 2-morpholinyl-ethylamino, 2-thiomorpholinyl ethylamino, 2-(4-N-methyl
piperazinyl) ethylamino, 3-N, N-dimethyl-aminopropyl amino, 3-N, N-diethyl aminopropyl amino, 3-N,
N-diisopropyl-aminopropyl amino, aminohydroxylpropyl, 3-morpholinyl-propylamino, 3-
thiomorpholinyl propylamino, 3-(4-N-methylpiperazinyl) propylamino, N-methylpiperidinylamino, N-
ethylpiperidinyamino, N-isopropyl-piperidinylamino, N-acetyl-piperidinylamino;
4) hydroxyl, 2-N,N-dimethylaminoethoxyl, 2-N, N-diethyl-aminoethoxyl, 2-N, N-diisopropyl-
aminoethoxyl, 2-(N-methylpiperazinyl) ethoxyl, 2-(N-acetyl-piperazinyl) ethoxyl, 2-morpholinyl-ethoxyl,
2-thiomorpholinyl ethoxyl, 2-piperidinyl-ethoxyl, 3-N, N-dimethylamino-propoxyl, 3-N, N-diethylamino-
propoxyl, 3-N, N-diisopropylamino propoxyl, 3-(N-methylpiperazinyl) propoxyl, 3-(N-acetyl-
piperazinyl) propoxyl, 3-morpholinyl-propoxyl, 3-thiomorpholinyl propoxyl, 3-piperidinyl-propoxyl, 2-
pyridyl-methoxyl, 3-pyridyl-methoxyl, 4-pyridyl methoxyl, phenylmethoxyl, monohalogen-substituted
phenylmethoxyl, homodihalogen-substituted phenylmethoxyl, heterodihalogen-substituted
phenylmethoxyl;
) selected from the group of five-or six-membered heterocyclic rings comprising one or a more of N, S
and O heteroatoms, said five-or six-membered heterocyclic rings are optionally substituted with C1-C6
alkyl, C1-C6 alkoxy, hydroxy, amino, C1-C6 acyl, cyano, or heterocyclic group,
including but not limited to: piperidinyl, 4-N, N-dimethylamino-piperidinyl, 4-N, N-diethylamino-
piperidinyl, 4-N, N-diisopropylamino piperidinyl, 4-hydroxypiperidinyl, 4-(N-methylpiperazinyl)
piperidinyl, 4-(N-ethyl-piperazinyl) piperidinyl, 4-(N-isopropyl-piperazinyl) piperidinyl, 4-(N-acetyl-
piperazinyl) piperidinyl, 4-(N-tert-butoxyl formyl-piperazinyl) piperidinyl, 4-(N-methylsulfonyl-
piperazinyl) piperidinyl, 4-(N-(2-hydroxylethyl) piperazinyl) piperidinyl, 4-(N-(2-cyanoethyl)
piperazinyl) piperidinyl, 4-(N-(3-hydroxylpropyl) piperazinyl) piperidinyl, 4-(N-(2-N, N-dimethyl-ethyl)
piperazinyl) piperidinyl, 4-(N-(2-N, N-diethyl-ethyl) piperazinyl) piperidinyl, 4-(N-(3-N, N-dimethyl-
propyl) piperazinyl) piperidinyl, 4-(N-(3-N,N-diethyl-propyl) piperazinyl) piperidinyl, 4-(pyrrolidinyl)
piperidinyl, 4-(3-N, N-dimethyl-pyrrolidinyl) piperidinyl;
N-methyl-piperazinyl, N-ethyl-piperazinyl, N-isopropyl-piperazinyl, N-acetyl-piperazinyl, N-tert formyl
piperazinyl, N-methylsulfonyl-piperazinyl piperazinyl, N-(2-hydroxylethyl) piperazinyl, N-(2-cyanoethyl)
piperazinyl, N-(3-hydroxylpropyl) piperazinyl, N-(2-N, N-dimethylethyl) piperazinyl, N-(2-N, N-diethyl-
ethyl) piperazinyl, N-(3-N, N-dimethyl-propyl) piperazinyl, N-(3-N, N-diethyl-propyl) piperazinyl, 2-
oxo-piperazinyl, N-(N-methylpiperidinyl) piperazinyl, N-(N-ethylpiperidinyl) piperazinyl, N-(N-
acetylpiperidinyl) piperazinyl;
morpholinyl, 3,5-dimethyl morpholinyl, thiomorpholinyl, tetrahydropyrrolyl, 3-N, N-dimethyl-
tetrahydropyrrolyl, 3-N, N-diethyl-tetrahydropyrrolyl;
R is selected from:
1) a hydrogen, halo, nitro, amino, cyano;
2) C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; a C1-C6 oxygen-containing alkyl;
3) methylthio, ethylthio, isopropylthio, methylsulfinyl, ethyl sulfinyl, propyl sulfinyl, methylsulfonyl,
ethylsulfonyl, isopropylsulfonyl, amino sulfonyl, ethylamino sulfonyl, propylamino sulfonyl,
isopropylamino sulfonyl, cyclopropylamino sulfonyl, hydroxyl formyl, methoxyl formyl, ethoxyl formyl,
propoxyl formyl, isopropoxyl formyl, n-butoxyl formyl, isobutoxyl formyl, t-butoxyl formyl, amino
formyl, methylamino formyl, ethylamino formyl, propylamino formyl, isopropylamino formyl,
cyclopropylamino formyl, cyclobutylamino formyl, cyclopentylamino formyl, acetamido, propionamido,
n-butyl amido, isobutyl amido, cyclopropyl formamido, cyclobutyl formamido, cyclopentyl formamido,
methylsulfonamino, ethylsulfonamino, propylsulfonamido, isopropylsulfonamido, dimethyl phosphinyl,
diethyl phosphinyl, diisopropyl phosphinyl;
R is selected from: hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-
C7 cycloalkyl, which is optionally substituted with halogen, nitro, amino, cyano; alternatively, R may
form a five-member ring with its connected N atom and C atom in the S1 ring;
R is selected from: hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-
C7 cycloalkyl, which is optionally substituted with halogen, nitro, amino, cyano;
R is selected from:
1) a hydrogen, halo, nitro, amino, cyano;
2) C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; a C1-C6 oxygen-containing alkyl;
3) methylthio, ethylthio, isopropylthio, methylsulfinyl, ethyl sulfinyl, propyl sulfinyl, methylsulfonyl,
ethylsulfonyl, isopropylsulfonyl, amino sulfonyl, ethylamino sulfonyl, propylamino sulfonyl,
isopropylamino sulfonyl, cyclopropylamino sulfonyl, hydroxyl formyl, methoxyl formyl, ethoxyl formyl,
propoxyl formyl, isopropoxyl formyl, n-butoxyl formyl, isobutoxyl formyl, t-butoxyl formyl, amino
formyl, methylamino formyl, ethylamino formyl, propylamino formyl, isopropylamino formyl,
cyclopropylamino formyl, cyclobutylamino formyl, cyclopentylamino formyl, acetamido, propionamido,
n-butyl amido, isobutyl amido, cyclopropyl formamido, cyclobutyl formamido, cyclopentyl formamido,
methylsulfonamido, ethylsulfonamido, propylsulfonamido, isopropylsulfonamido, dimethyl phosphinyl,
diethyl phosphinyl, diisopropyl phosphinyl;
X = O, NH or a direct bond;
Y = S, C, P, N, OH, NH or CH
2 2;
m = 0, 1 or 2;
n = 0, 1, 2, 3 or 4;
is aryl or heteroaryl group fused with a seven membered two-nitrogen heterocyclic ring;
is aryl or heteroaryl;
or a stereoisomer of the above compounds, a prodrug thereof, a pharmaceutically acceptable salt thereof,
or a pharmaceutically acceptable solvate thereof.
In some embodiments, R is selected from:
1) C1-C6 alkyl, optionally substituted by halogen, nitro, cyano; C1-C6 alkyl containing oxygen; C3-C7
cycloalkyl, which is optionally substituted by halogen, nitro, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; -O-C3-C7 cycloalkyl, optionally substituted with halogen,
nitro, amino, cyano; C6-C10 aryl, optionally substituted by halogen, nitro, amino, cyano; -O-C6-C10 aryl,
which is optionally substituted by halogen, nitro, amino, cyano; C2-C6 alkenyl; 3-N, N-dimethylamino-
propenyl, 3-pyrrolidinyl-propenyl; amino; hydroxyl;
2) selected from the group of five-or six-membered heterocyclic rings comprising one or a plurality of N,
S and O heteroatoms, said five-or six-membered heterocyclic rings are optionally substituted with C1-C6
alkyl, C1-C6 alkoxyl, hydroxyl, amino, C1-C6 acyl, cyano, heterocyclic group,
including but not limited to: piperidinyl, 4-N, N-dimethylamino-piperidinyl, 4-N, N-diethylamino-
piperidinyl, 4-N, N-diisopropylamino piperidinyl, 4-hydroxypiperidinyl, 4-(N-methylpiperazinyl)
piperidinyl, 4-(N-ethyl-piperazinyl) piperidinyl, 4-(N-isopropyl-piperazinyl ) piperidinyl, 4-(N-acetyl-
piperazinyl) piperidinyl, 4-(N-tert-butoxyl formyl-piperazinyl) piperidinyl, 4-(N-methylsulfonyl-
piperazinyl) piperidinyl, 4-(N-(2-hydroxyethyl) piperazinyl) piperidinyl, 4-(N-(2-cyanoethyl) piperazinyl)
piperidinyl, 4-(N-(3-hydroxylpropyl) piperazinyl) piperidinyl, 4-(N-(2-N, N-dimethyl-ethyl) piperazinyl)
piperidinyl, 4-(N-(2-N, N-diethyl-ethyl) piperazinyl) piperidinyl, 4-(N-(3-N, N-dimethyl-propyl)
piperazinyl) piperidinyl, 4-(N-(3-N, N-diethyl-propyl) piperazinyl) piperidinyl, 4-(tetrahydropyrrolyl)
piperidinyl, 4-(3-N, N-dimethyl-tetrahydropyrrolyl) piperidinyl;
N-methyl-piperazinyl, N-ethyl-piperazinyl, N-isopropyl-piperazinyl, N-acetyl-piperazinyl, N-tert butoxyl
formyl piperazinyl, N-methylsulfonyl-piperazinyl piperazinyl, N-(2-hydroxylethyl) piperazinyl, N-(2-
cyanoethyl) piperazinyl, N-(3-hydroxylpropyl) piperazinyl, N-(2-N, N-dimethylethyl) piperazinyl, N-(2-
N, N-diethyl-ethyl) piperazinyl, N-(3-N, N-dimethyl-propyl) piperazinyl, N-(3-N, N-diethyl-propyl)
piperazinyl, 2-oxo-piperazinyl, N-(N-methylpiperidinyl) piperazinyl, N-(N-ethylpiperidinyl)
piperazinyl, N-(N-acetylpiperidinyl) piperazinyl;
morpholinyl, 3,5-dimethyl morpholinyl, thiomorpholinyl, tetrahydropyrrolyl, 3-N, N-dimethyl-
tetrahydropyrrolyl, 3-N, N-diethyl-tetrahydropyrrolyl.
In some embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano; C1-C6 alkyl,
optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally substituted by halogen,
nitro, amino, cyano; C1-C6 alkyl groups containing oxygen.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano; C1-C6 alkyl,
optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl group, which is optionally
substituted by halogen, nitro, amino, cyano.
In some embodiments,
is benzene ring, a thiophene ring, a furan ring, a pyridine ring, an oxazole ring, or thiazolyl ring
fused with a seven membered two nitrogen heterocyclic ring group.
In some embodiments,
is a benzene ring or a pyrazole ring.
In some embodiments, the pharmaceutically acceptable salt is an inorganic or organic acid salts,
wherein the inorganic salt is a hydrochloride, hydrobromide, hydroiodide, nitrate, bicarbonate, and salts
of carbonates, sulfates or phosphates, the organic acid salt is a formate, acetate, propionate, benzoate,
maleate, fumarate, succinate, tartrate, citrate, ascorbate, alpha-ketoglutarate, alpha-glycerophosphate,
alkyl sulfonate or aryl sulfonate; preferably, the alkyl sulfonate is methylsulfonate or ethylsulfonate;
arylsulfonates as the benzylsulfonate or p-toluenylsulfonate.
A second aspect, the present invention provides compounds with the following formulas I, II, III,
wherein: n1 is selected from 0, 1, 2, 3 or 4;
R is selected from:
1) C1-C6 alkyl, optionally substituted with halogen, amino, nitro, cyano; C1-C6 alkyl containing oxygen;
C3-C7 cycloalkyl, which is optionally substituted with halogen, amino, nitro, cyano; C6-C10 aryl,
optionally substituted by halogen, nitro, amino, hydroxy, cyano; C3-C6 alkenyl;
2) 2-N, N-dimethylaminoethyl, 2-hydroxyethyl, 2-N, N-diethylaminoethyl, 2-N, N-diisopropylamino
ethyl, 2-morpholinyl ethyl, 2-thiomorpholinyl ethyl, 2-(4-N-piperazinyl-methyl) ethyl, 3-N, N-
dimethylaminopropyl, 3-N, N-diethylaminopropyl, 3-N, N-diisopropyl-aminopropyl, 3-morpholinyl
propyl, 3-thiomorpholinyl propyl, 3-(4-N-methylpiperidinyl) propyl, 4-N, N-dimethylamino-cyclohexyl,
4-N, N-diethylamino cyclohexyl, N-methylpiperidinyl, N-ethylpiperidinyl, N-isopropyl
piperidinyl, 1,3-dimethylpyrazolyl, 1-methylpyrazolyl, 3-methylisoxazolinyl, 1-(N-methyl
piperidinyl)pyrazolyl, 1-(N-tert-butoxyl formylpiperidinyl)pyrazolyl;
wherein Z , Z , Z , Z , Z are each independently selected from:
1 2 3 4 5
(1) hydrogen, halogen, nitro, amino, hydroxy, cyano,
(2) C1-C6 alkyl, C1-C6 alkoxy, C1-C6 alkyl containing oxygen, C1-C6 alkyl containing fluorine, C1-C6
alkoxy containing fluorine, 4-piperidinyl, N-methyl ylpiperidinyl,
(3) N, N-dimethylamino, N, N-diethylamino, N, N-diisopropylamino, 2-N, N-dimethylaminoethylamino,
2-morpholino ethylamino, 2-ethylamino thiomorpholinyl, 2-(4-N-methylpiperazinyl) ethylamino, 3-N, N-
dimethyl-aminopropyl amino, 3-N, N-diethylaminopropyl-amino, 3-N, N-diisopropylamino propylamino,
3-morpholin-propylamino, 3-thiomorpholinyl propylamino, 3-(4 N-methylpiperazinyl) propylamino, N-
methylpiperidinylamino, N-ethylpiperidinylamino, N-isopropyl-piperidinylamino,
(4) 2-N, N-dimethylaminoethoxyl, 2-N, N-diethyl-aminoethoxy, 2-N, N-diisopropyl-aminoethoxyl, 2-(N-
methylpiperazinyl) ethoxyl, 2-(N-acetyl-piperazinyl) ethoxyl, 2-morpholino-ethoxyl, 2-thiomorpholino-
ethoxyl, 2-piperidinyl ethoxyl, 3-N, N-dimethylamino-propoxyl, 3-N, N-diethylamino-propoxyl, 3-N, N-
diisopropylamino propoxyl, 3-(N-methylpiperazinyl) propoxyl, 3-(N-acetyl-piperazinyl) propoxyl, 3-
morpholinyl-propoxyl, 3-thiomorpholinyl propoxyl, 3-piperidinyl-propoxyl, 2-pyridyl-methoxyl, 3-
pyridyl-methoxyl, 4-pyridyl methoxyl, phenylmethoxyl, monohalogen-substituted phenylmethoxyl,
homodihalogen-substituted phenylmethoxyl, heterodihalogen-substituted phenylmethoxyl,
(5) piperidinyl, 4-N, N-dimethylamino-piperidinyl, 4-N, N-diethylamino-piperidinyl, 4-N, N-
diisopropylamino piperidinyl, 4-hydroxy piperidinyl, morpholinyl, 3,5-dimethyl morpholinyl,
thiomorpholinyl, tetrahydropyrrolyl, 3-N, N-dimethyl-tetrahydropyrrolyl, 3-N, N-diethyl-
tetrahydropyrrolyl, N-methyl-piperazinyl, N-ethyl-piperazinyl, N-isopropyl-piperazinyl, N-acetyl-
piperazinyl, N-tert-butoxyl formyl piperazinyl, N-methylsulfonyl-piperazinyl, N-(2-hydroxylethyl)
piperazinyl, N-(2-cyanoethyl) piperazinyl, N-(3-hydroxylpropyl) piperazinyl, N-(2-N, N-dimethylethyl)
piperazinyl, N-(2-N, N-diethyl-ethyl) piperazinyl, N-(3-N, N-dimethylpropyl) piperazinyl, N-(3-N, N-
diethyl-propyl) piperazinyl, 2-oxo-piperazinyl, 2-oxo-piperazinyl, imidazolyl, 4-imidazolyl,
(6) 4-(N-methylpiperazinyl) piperidinyl, 4-(N-ethyl-piperazinyl) piperidinyl, 4-(N-isopropyl-piperazinyl)
piperidinyl, 4-(N-acetyl-piperazinyl) piperidinyl, 4-(N-t-butoxyl-formyl-piperazinyl) piperidinyl, 4-(N-
methylsulfonyl-piperazinyl) piperidinyl, 4-(N-(2-hydroxylethyl) piperazinyl) piperidinyl, 4-(N-(2-
cyanoethyl) piperazinyl) piperidinyl, 4-(N-(3-hydroxylpropyl ) piperazinyl) piperidinyl, 4-(N-(2-N, N-
dimethyl-ethyl) piperazinyl) piperidinyl, 4-(N-(2-N, N-diethyl ethyl) piperazinyl) piperidinyl, 4-(N-(3-N,
N-dimethyl-propyl) piperazinyl) piperidinyl, 4-(N-(3-N, N-diethyl-propyl) piperazinyl) piperidinyl, 4-
(tetrahydropyrrolyl) piperidinyl, 4-(3-N, N-dimethyl-tetrahydropyrrolyl) piperidinyl, N-(N-methyl
piperidinyl) piperazinyl, N-(N-ethylpiperidinyl) piperazinyl,
(7) hydroxy sulfonyl, aminosulfonyl, sulfonyl methylamino, ethylamino sulfonyl group, a sulfonyl group
propylamino, isopropylamino-sulfonyl, aminosulfonyl cyclopropyl, cyclobutyl aminosulfonyl,
cyclopentyl aminosulfonyl, piperidinyl-sulfonyl, 4-hydroxyl-piperidinylsulfonyl, 4-N, N-dimethyl-
piperidinylsulfonyl, 4-N, N-diethyl-piperidinylsulfonyl, pyrrolidinylsulfonyl, 3-N, N-dimethyl-
pyrrolidinylsulfonyl, 3-N, N-diethyl-pyrrolidinylsulfonyl, N-methyl-piperazinyl-sulfonyl, N-
ethylpiperazinylsulfonyl, N-acetyl-piperazinylsulfonyl, N-tert-butoxylformyl-piperazinyl
sulfonyl, N-(2-hydroxylethyl) piperazinylsulfonyl, N-(2-cyanoethyl) piperazinylsulfonyl, N-(2-N,
N-dimethyl ethyl) piperazinylsulfonyl, N-(2-N, N-diethyl-ethyl) piperazinylsulfonyl, N-(3-
hydroxylpropyl) piperazinylsulfonyl, N-(3-N, N-dimethylamino-propyl) piperazinylsulfonyl, N-(3-
N, N-diethylamino-propyl) piperazinylsulfonyl, morpholinylsulfonyl, 3,5-dimethyl-morpholinyl
sulfonyl, 4-(N-methylpiperazinyl) piperidinylsulfonyl, 4-(N-ethylpiperazinyl) piperidinyl
sulfonyl, 4-(N-acetylpiperazinyl) piperidinyl-sulfonyl, N-(N-methylpiperidinyl) piperazinyl
sulfonyl,
(8) amino formyl, methylamino formyl, ethylamino formyl, propylamino formyl, isopropylamino formyl,
cyclopropylamino formyl, cyclobutylamino formyl, cyclopentylamino formyl, piperidinylformyl, 4-
hydroxy-piperidinylformyl, 4-N, N-dimethyl-piperidinylformyl, 4-N, N-two ethylpiperidinyl
formyl, tetrahydropyrrolylformyl, 3-N, N-dimethyl-tetrahydropyrrolylformyl, 3-N, N-diethyl-
tetrahydropyrrolylformyl, N-methyl-piperazinylformyl, N-ethyl-piperazinylformyl, N-acetyl-
piperazinylformyl, N-tert-butoxyl-formyl-piperazinylformyl, N-(2-hydroxyethyl) piperazinyl
formyl, N-(2-cyanoethyl) piperazinylformyl, N-(2-N, N-dimethyl-ethyl) piperazinylformyl, N-(2-N,
N-diethyl-ethyl) piperazinylformyl, N-(3-hydroxypropyl) piperazinylformyl, N-(3-N, N-dimethyl-
propyl) piperazinylformyl, N-(3-N, N-diethyl propyl) piperazinylformyl, morpholinylformyl,
3,5-dimethyl-morpholinylformyl, 4-(N-methylpiperazinyl) piperidinylformyl, 4-(N-ethyl
piperazinyl) piperidinylformyl, 4-(N-acetylpiperazinyl) piperidinylformyl, N-(N-methyl
piperidinyl) piperazinylformyl,
(9) hydroxyl formyl, methoxyl formyl, ethoxyl formyl, propoxyl formyl, isopropoxyl formyl, n-butoxyl
formyl, isobutoxy formyl, t-butoxyl formyl,
(10) amino formamido, methylamino formamido, ethylamino formamido, propylamino formamido,
isopropylamino formamido, cyclopropylamino formamido, cyclobutylamino formamido,
cyclopentylamino formamido, piperidinylformamido, 4-hydroxy-piperidinylformamido, 4-N, N-
dimethyl-piperidinylformamido, 4-N, N-diethyl-piperidinylformamido, tetrahydropyrrolyl-l-
formamido, 3-N, N-dimethyl-tetrahydropyrrolylformamido, 3-N, N-diethyl-tetrahydropyrrolyl
formamido, N-methyl-piperazinylformamido, N-ethyl-piperazinylformamido, N-acetyl-piperazinyl-
1-formamido, N-tert-butoxyl formyl-piperazinylformamido, N-(2-hydroxyethyl) piperazinyl
formamido, N-(2-cyanoethyl) piperazinylformamido, N-(2-N, N-dimethyl-ethyl) piperazinyl
formamido, N-( 2-N, N-diethyl-ethyl) piperazinylformamido, N-(3-hydroxypropyl) piperazinyl
formamido, N-(3-N, N-dimethyl-propyl) piperazinylformamido, N-(3-N, N-diethyl-aminopropyl)
piperazinylformamido, morpholinylformamido, 3,5-dimethyl-morpholinylformamido, 4-(N-
methylpiperazinyl) piperidinylformamido, 4-( N-ethylpiperazinyl) piperidinylformamido, 4-
(N-acetylpiperazinyl) piperidinylformamido, N-(N-methylpiperidinyl) piperazinylformamido;
(11) amino acetamido, N-tert-butoxyl formyl acetamido, N-acetylamino acetamido, acrylamido,
cyclopropylamido, chloroacetamido, bromoacetamido, piperidinyl acetamido, 4-hydroxy piperidinyl
acetamido, 4-N, N-dimethyl-piperidinyl-acetamido, 4-N, N-diethyl-piperidinyl acetamido,
tetrahydropyrrolyl acetamido, 3-N, N-dimethyl-tetrahydropyrrolyl acetamido, 3-N, N-diethyl-
tetrahydropyrrolyl-acetamido, N-methyl-piperazinyl acetamido, N-ethyl piperazinyl-acetamido, N-acetyl-
piperazinyl acetamido, N-tert-butoxy formyl-piperazinyl acetamido, N-(2-hydroxyethyl) piperazinyl
acetamido, N-(2-cyanoethyl) piperazinyl acetamido, N-(2-N, N-dimethylethyl) piperazinyl acetamido, N-
(2-N, N-diethyl-ethyl) piperazinyl acetamido, N-(3-hydroxylpropyl) piperazinyl acetamido, N-(3-N, N-
dimethyl-propyl) piperazinyl acetamido, N-(3-N, N-diethyl-propyl) piperazinyl acetamido, morpholinyl
acetamido, 3,5-dimethyl-morpholinyl-acetamido, 4-(N-methylpiperazinyl) piperidinyl acetamido, 4-
(N-ethylpiperazinyl) piperidinyl acetamido, 4-(N-acetylpiperazinyl) piperidinyl acetamido, N-(N-
methylpiperidinyl) piperazinyl acetamido, 4-(tetrahydropyrrolyl) piperidinyl acetamido; 2-
methylamino acetamido, 2-(1-methylethyl) amino acetamido; N-benzyloxy-formylmethylamino-
acetamido;
(12) Z and Z may form a substituted or unsubstituted oxygen-containing five-or six-membered ring;
the substituents may be selected from the same substituents of Z ,
(13) Z and Z may form a substituted or unsubstituted nitrogen-containing five-or six-membered ring;
the substituents may be selected from the same substituents of Z ,
wherein Z2, Z3, Z4, Z5 are the same as the definition 3) above;
wherein Z , Z , Z , Z are the same as the definition 3) above;
1 3 4 5
R is selected from:
1) a hydrogen, halo, nitro, amino, cyano;
2) C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; a C1-C6 oxygen-containing alkyl;
3) methylthio, ethylthio, isopropylthio, methylsulfinyl, ethylsulfinyl, propyl sulfinyl, methylsulfonyl,
ethylsulfonyl, isopropylsulfonyl, amino sulfonyl, ethylamino sulfonyl, propylamino sulfonyl,
isopropylamino-sulfonyl, cyclopropylamino sulfonyl, hydroxyl formyl, methoxyl formyl, ethoxyl formyl,
propoxyl formyl, isopropoxyl formyl;, n-butoxyl formyl, isobutoxyl formyl, t-butoxyl formyl, amino
formyl, methylamino formyl, ethylamino formyl, propylamino formyl, isopropylamino formyl,
cyclopropylamino formyl, cyclobutylamino formyl, cyclopentylamino formy;, acetamido, propionamido,
n-butyl amido, isobutyl amido, cyclopropyl formamido, cyclobutyl formamido, cyclopentyl formamido,
methylsulfonamido, ethylsulfonamido, propylsulfonamido, isopropylsulfonamido, dimethyl phosphinyl,
diethyl phosphinyl, diisopropyl phosphinyl;
R is selected from:
Hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl, which
is optionally substituted by halogen, nitro, amino, cyano;
R is selected from:
hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl, which
is optionally substituted by halogen, nitro, amino, cyano;
R is selected from:
1) a hydrogen, halo, nitro, amino, cyano;
2) C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; a C1-C6 oxygen-containing alkyl;
3) methylthio, ethylthio, isopropylthio, methylsulfinyl, ethyl sulfinyl, propyl sulfinyl, methylsulfonyl,
ethylsulfonyl, isopropylsulfonyl, amino sulfonyl, ethylamino sulfonyl, propylamino sulfonyl,
isopropylamino-sulfonyl, cyclopropylamino sulfonyl, hydroxyl formyl, methoxyl formyl, ethoxyl formyl,
propoxyl formyl, isopropoxyl formyl, n-butoxyl formyl, isobutoxyl formyl, t-butoxyl formyl, amino
formyl, methylamino formyl, ethylamino formyl, propylamino formyl, isopropylamino formyl,
cyclopropylamino formyl, cyclobutylamino formyl, cyclopentylamino formyl, acetamido, propionamido,
n-butyl amido, isobutyl amido, cyclopropyl formamido, cyclobutyl formamido, cyclopentyl formamido,
methylsulfonamido, ethylsulfonamido, propylsulfonamido, isopropylsulfonamido, dimethyl phosphinyl,
diethyl phosphinyl, diisopropyl phosphinyl;
or a stereoisomer of the above compounds, a prodrug thereof, a pharmaceutically acceptable salt thereof,
or a pharmaceutically acceptable solvate thereof.
In some embodiments, R is selected from:
1) C1-C6 alkyl, optionally substituted by halogen, nitro, cyano; C1-C6 alkyl group containing oxygen;
C3-C7 cycloalkyl, which is optionally substituted by halogen, nitro, cyano; C6-10 aryl, optionally
substituted by halogen, nitro, amino, hydroxy, cyano;
2) 2-N, N-dimethylaminoethyl, 2-hydroxyethyl, 2-N, N-diethylaminoethyl, 2-N, N-diisopropylamino
ethyl, 2-morpholinyl ethyl, 2-thiomorpholinyl ethyl, 2-(4-N-piperazinyl-methyl) ethyl, 3-N, N-
dimethylaminopropyl, 3-N, N-diethylaminopropyl, 3-N, N-diisopropyl-aminopropyl, 3-morpholinyl
propyl, 3-thiomorpholinyl propyl, 3-(4-N-methylpiperidine l) propyl, 4-N, N-dimethylamino-cyclohexyl,
4-N, N-diethylamino cyclohexyl, N-methylpiperidinyl, N-ethylpiperidinyl, N-isopropyl
piperidinyl, 1,3-dimethylpyrazolyl, 1-methylpyrazolyl, 3-methylisoxazolinyl, 1-(N-methyl
piperidinyl)pyrazolyl, 1-(N-tert-butoxyl formylpiperidinyl)pyrazolyl.
In some embodiments, Z of R is selected from amino, aminosulfonyl, methylamino sulfonyl,
3 11
cyclopropylamino sulfonyl, piperidinyl-sulfonyl, 4-hydroxypiperidinylsulfonyl, 4-N, N-dimethyl-
piperidinylsulfonyl, pyrrolidinylsulfonyl, 3-N, N-dimethyl-pyrrolidinylsulfonyl, N-methyl-
piperazinyl-sulfonyl, N-ethyl-piperazinylsulfonyl, morpholinylsulfonyl, methylsulfonamido,
ethylsulfonamido, isopropyl sulfonamido, vinylsulfonamido, formic acid group, amino formyl,
methylamino formyl, ethylamino formyl, isopropylamino formyl, cyclopropylamino formyl, piperidin-1
formyl, 4-hydroxyl-piperidinylformyl, 4-N, N-dimethyl-piperidinylformyl, tetrahydropyrrolyl
formyl, 3-N, N-dimethyl-tetrahydropyrrolylformyl, N-methyl-piperazinylformylyl, N-ethyl-
piperazinylformyl, N-acetyl-piperazinylformyl, morpholinylformyl, 4-(N-methylpiperazinyl)
piperidinylformyl, 4-(N-ethylpiperazinyl) piperidinylformyl, 4-(N-acetylpiperazinyl)
piperidinylformyl, N-(N-methylpiperidinyl) piperazinylformyl, chloroacetamido,
bromoacetamido, acrylamido.
In some embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano; C1-C6 alkyl,
optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally substituted by halogen,
nitro, amino, cyano; C1-C6 alkyl containing oxygen.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano; C1-C6 alkyl,
optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl optionally substituted by halogen,
nitro, amino, cyano; C1-C6 alkyl containing oxygen.
In some application scenarios, n1 is selected from 0,1,2,3.
In some preferred embodiments, n1 is selected from 0, 1, 2.
In some embodiments, the pharmaceutically acceptable salt is an inorganic or organic acid salts,
wherein the inorganic salt is a hydrochloride, hydrobromide, hydroiodide, nitrate, bicarbonate, and salts
of carbonates, sulfates or phosphates, the organic acid salt is a formate, acetate, propionate, benzoate,
maleate, fumarate, succinate, tartrate, citrate, ascorbate, alpha-ketoglutarate, alpha-glycerophosphate,
alkyl sulfonate or aryl sulfonate; preferably, the alkyl sulfonate is methylsulfonate or ethylsulfonate;
arylsulfonates as the benzylsulfonate or p-toluenylsulfonate.
A third aspect, the present invention provides a compound represented by the following structural
formula:
among them,
m2 is selected from 0, 1, 2, 3 or 4;
n2 is selected from 0, 1, 2, 3 or 4;
R is selected from:
1) selected from the group of five membered or six-membered heterocyclic rings comprising one or more
N, O and S heteroatoms, the five membered or six-membered heterocyclic rings are optionally substituted
with C1-C6 alkyl, C1-C6 alkoxy, hydroxy, amino, alkylamino, dialkylamino, C1-C6 acyl, cyano,
optionally substituted C1-C6 alkyl, -O-C1-C6 alkyl, hydroxy, hydroxy C1-C6 alkyl, C1-C6 acyl,
alkylamino, dialkylamino substituted heterocyclic group,
including but not limited to: 4-N, N-dimethylamino-piperidinyl, 4-N, N-diethylamino-piperidinyl, 4-N,
N-diisopropylamino-piperidinyl, 4-hydroxy-piperidinyl, 4-(N-methylpiperazinyl) piperidinyl, 4-(N-ethyl-
piperazinyl) piperidinyl, 4-(N-isopropyl-piperazinyl) piperidinyl, 4-(N-acetyl-piperazinyl) piperidinyl, 4-
(N-tert-butoxyl formyl-piperazinyl) piperidinyl, 4-(N-methylsulfonyl-piperazinyl) piperidinyl, 4-(N-(2-
hydroxylethyl) piperazinyl) piperidinyl, 4-(N-(2-cyanoethyl) piperazinyl) piperidinyl, 4-(N-(3-
hydroxylpropyl) piperazinyl) piperidinyl, 4-(N-(2-N, N-dimethyl-ethyl) piperazinyl) piperidinyl, 4-(N-(2-
N, N-diethyl-ethyl) piperazinyl) piperidinyl, 4-(N-(3-N, N-dimethyl-propyl) piperazinyl) piperidinyl, 4-
(N-(3-N, N-diethyl-propyl) piperazinyl) piperidinyl, 4-(tetrahydropyrrolyl) piperidinyl, 4-(3-N, N-
dimethyl-tetrahydropyrrolyl) piperidinyl;
2) amino, cyclopropylamino, cyclobutylamino, cyclopentylamino, cyclohexylamino, N, N-
dimethylamino, N, N-diethylamino, N, N-diisopropylamino, 2-N, N-dimethylaminoethylamino, 2-
hydroxyethylamino, 2-morpholinyl-ethylamino, 2-(4-N-methylpiperazinyl) ethylamino, 3-N, N-
dimethylamino-propylamino, 3-N, N-diethylamino-propylamino, 3-N, N-diisopropylamino-propylamino,
3-hydroxy-propylamino, 3-morpholinyl-propylamino, 3-(4-N-methylpiperazinyl) propylamino, N-
methylpiperidinylamino, N-ethylpiperidinylamino, N-isopropyl piperidinylamino, N-
acetylpiperidinylamino; N-methyl-piperazinyl, N-ethyl-piperazinyl, N-isopropyl-piperazinyl, N-acetyl
piperazinyl, N-tert-butoxyl formyl-piperazinyl, N-methylsulfonyl-piperazinyl, N-(2-hydroxylethyl)
piperazinyl, N-(2-cyanoethyl) piperazinyl, N-(3-hydroxylpropyl) piperazinyl, N-(2-N, N-dimethylethyl)
piperazinyl, N-(2-N, N-diethyl aminoethyl) piperazinyl, N-(3-N, N-dimethyl-propyl) piperazinyl, N-(3-N,
N-diethyl-propyl) piperazinyl, 2-oxo-piperazinyl, N-(N-Methylpiperidinyl) piperazinyl, N-(N-ethyl-
4-piperidinyl) piperazinyl, N-(N-acetylpiperidinyl) piperazinyl; morpholinyl, 3,5-dimethyl
morpholinyl, thiomorpholinyl, tetrahydropyrrolyl, 3-N, N-dimethyl-tetrahydropyrrolyl, 3-N, N-diethyl-
tetrahydropyrrolyl;
3) C1-C6 alkyl, optionally substituted by halogen, nitro, cyano;
4) C3-C7 cycloalkyl, which is optionally substituted by halogen, nitro, cyano;
)-O-C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano;
6)-O-C3-C7 cycloalkyl, which is optionally substituted by halogen, nitro, amino, cyano;
7) C6-C10 aryl, which is optionally substituted by halogen, nitro, amino, cyano; -O-C6-C10 aryl group,
which is optionally substituted by halogen, nitro, amino, cyano;
8) C2-C6 alkenyl;
9) hydroxyl, 2-N, N-dimethylaminoethoxyl, 2-N, N-diethyl-aminoethoxyl, 2-N, N-diisopropyl-
aminoethoxyl, 2-( N-methylpiperazine-yl) ethoxyl, 2-(N-acetyl-piperazinyl) ethoxyl, 2-morpholinyl-
ethoxyl, 2-thiomorpholinyl ethoxyl, 2-piperidinyl-ethoxyl, 3-N, N-dimethylamino-propoxyl, 3-N, N-
diethylamino-propoxyl, 3-N, N-diisopropylamino propoxyl, 3-(N-methylpiperazinyl) propoxyl, 3-(N-
acetyl-piperazinyl) propoxyl, 3-morpholinyl-propoxyl, 3-thiomorpholinyl propoxyl, 3-piperidinyl-
propoxyl, 2-pyridyl-methoxyl, 3-pyridyl-methoxyl, 4-pyridyl methoxyl, phenylmethoxyl, monohalogen-
substituted phenylmethoxyl, homodihalogen substituted phenyl methoxyl, heterodihalogen-substituted
phenylmethoxyl;
R is selected from:
1) a hydrogen, halo, nitro, amino, cyano;
2) C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; C1-C6 oxygen-containing alkyl;
3) methylthio, ethylthio, isopropylthio, methylsulfinyl, ethyl sulfinyl, propyl sulfinyl, methylsulfonyl,
ethylsulfonyl, isopropylsulfonyl, amino sulfonyl, ethylamino sulfonyl, propylamino sulfonyl,
isopropylamino-sulfonyl, cyclopropylamino sulfonyl, hydroxyl formyl, methoxyl formyl, ethoxyl formyl,
propoxyl formyl, isopropoxyl formyl, n-butoxyl formyl, isobutoxyl formyl, t-butoxyl formyl, amino
formyl, methylamino formyl, ethylamino formyl, propylamino formyl, isopropylamino formyl,
cyclopropylamino formyl, cyclobutylamino formyl, cyclopentylamino formyl, acetamido, propionamido,
n-butyl amido, isobutyl amido, cyclopropyl formamido, cyclobutyl formamido, cyclopentyl formamido,
methylsulfonamiso, ethylsulfonamiso, propylsulfonamiso, isopropylsulfonamiso, dimethyl phosphinyl,
diethyl phosphinyl, diisopropyl phosphinyl;
R is selected from: hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-
C7 cycloalkyl, which is optionally substituted with halogen, nitro, amino, cyano;
R is selected from: hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-
C7 cycloalkyl, which is optionally substituted with halogen, nitro, amino, cyano;
R is selected from:
1) a hydrogen, halo, nitro, amino, cyano;
2) C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; C1-C6 oxygen-containing alkyl;
3) methylthio, ethylthio, isopropylthio, methylsulfinyl, ethyl sulfinyl, propyl sulfinyl, methylsulfonyl,
ethylsulfonyl, isopropylsulfonyl, amino sulfonyl, ethylamino sulfonyl, propylamino sulfonyl,
isopropylamino-sulfonyl, cyclopropyl aminosulfonyl, hydroxyl formyl, methoxyl formyl, ethoxyl formyl,
propoxyl formyl, isopropoxyl formyl, n-butoxyl formyl, isobutoxyl formyl, t-butoxyl formyl, amino
formyl, methylamino formyl, ethylamino formyl, propylamino formyl, isopropylamino formyl,
cyclopropylamino formyl, cyclobutylamino formyl, cyclopentylamino formyl, acetamido, propionamido,
n-butyl amido, isobutyl amido, cyclopropyl formamido, cyclobutyl formamido, cyclopentyl formamido,
methylsulfonamido, ethylsulfonamido, propylsulfonamido, isopropylsulfonamido, dimethyl phosphinyl,
diethyl phosphinyl, diisopropyl phosphinyl;
Or a stereoisomer of the above compounds, a prodrug thereof, a pharmaceutically acceptable salt thereof,
or a pharmaceutically acceptable solvate thereof.
In some embodiments, R is selected from:
1) C1-C6 alkyl, C3-C7 cycloalkyl;
2) amino, cyclopropylamino, cyclopentylamino, cyclohexylamino, N, N-dimethylamino, N, N-
diethylamino, N, N-diisopropylamino, 2-N, N-dimethylamino, diethylamino, 2-hydroxylethylamino, 2-
morpholinyl-ethylamino, 2-(4-N-piperazinyl-methyl) ethylamino, N-methylpiperidinylamino, N-
ethylpiperidinylamino, N-isopropyl-piperidinylamino, N-acetyl-piperidinylamino;
4) hydroxyl, 2-N, N-dimethylaminoethoxyl, 2-N, N-diethyl-aminoethoxyl, 2-N, N-diisopropyl-
aminoethoxyl, 2-( N-methylpiperazine-yl) ethoxyl, 2-(N-acetyl-piperazinyl) ethoxyl, 2-morpholinyl-
ethoxyl, 2-thiomorpholinyl ethoxyl, 2-piperidinyl-ethoxyl, 3-N, N-dimethylamino-propoxyl, 3-N, N-
diethylamino-propoxyl, 3-N, N-diisopropylamino propoxyl, 3-(N-methylpiperazinyl) propoxyl, 3-(N-
acetyl-piperazinyl) propoxyl, 3-morpholinyl-propoxyl, 3-thiomorpholinyl propoxyl, 3-piperidinyl-
propoxyl, 2-pyridyl methoxyl, 3-pyridyl-methoxyl, 4-pyridyl-methoxyl;
) piperidinyl, 4-N, N-dimethylamino-piperidinyl, 4-hydroxypiperidinyl, 4-(N-methylpiperazinyl)
piperidinyl, 4-(N-ethyl-piperazinyl) piperidinyl, 4-(N-acetyl-piperazinyl) piperidinyl, 4-(N-tert-butyoxyl
formyl-piperazinyl) piperidinyl, 4-(N-methylsulfonyl-piperazinyl) piperidinyl, 4-(N-(2-hydroxylethyl)
piperazinyl) piperidinyl, 4-(N-(2-cyanoethyl) piperazinyl) piperidinyl, 4-( N-(3-hydroxylpropyl)
piperazinyl) piperidinyl, 4-(N-(2-N, N-dimethyl-ethyl) piperazinyl) piperidinyl, 4-(N-(2-N, N-diethyl-
ethyl) piperazinyl) piperidinyl, 4-(N-(3-N, N-dimethyl-propyl) piperazinyl) piperidinyl, 4-(N-(3-N, N-
diethyl-propyl) piperazinyl) piperidinyl, 4-(pyrrolidinyl) piperidinyl, 4-(3-N, N-dimethyl-pyrrolidinyl)
piperidinyl;
6) N-methyl-piperazinyl, N-ethyl-piperazinyl, N-isopropyl-piperazinyl, N-acetyl-piperazinyl, N-(2-
hydroxyethyl) piperazinyl, N-(2-cyanoethyl) piperazinyl, N-(3-hydroxylpropyl) piperazinyl, N-(2-N, N-
dimethylethyl) piperazinyl, N-(2-N, N-diethyl-ethyl) piperazinyl, N-(3-N, N-dimethyl-propyl)
piperazinyl, N-(3-N, N-diethyl-propyl) piperazinyl, 2-oxo-piperazinyl, N-(N-methylpiperidinyl)
piperazinyl, N-(N-ethylpiperidinyl) piperazinyl, N-(N-acetylpiperidinyl) piperazinyl;
7) morpholinyl, 3,5-dimethyl morpholinyl, thiomorpholinyl, tetrahydropyrrolyl, 3-N, N-dimethyl-
tetrahydro pyrrolyl, 3-N, N-diethyl tetrahydro pyrrolyl.
In some preferred embodiments, R is selected from
1) methyl, ethyl, isopropyl, trifluoromethyl;
2) amino, cyclopropylamino, N, N-dimethylamino, N, N-diethylamino, N, N-diisopropylamino;
4) hydroxyl
) piperidinyl, 4-N, N-dimethylamino-piperidinyl, 4-hydroxypiperidinyl, 4-(N-methylpiperazinyl)
piperidinyl, 4-(tetrahydro-pyrrolyl) piperidinyl, 4-(3-N, N-dimethyl-pyrrolidinyl) piperidinyl;
6) N-methyl-piperazinyl, N-ethyl-piperazinyl, N-isopropyl-piperazinyl, N-acetyl-piperazinyl, N-(2-
hydroxylethyl) piperazinyl, N-(2-cyanoethyl) piperazinyl, N-(3-hydroxylpropyl) piperazinyl, N-(2-N, N-
dimethylethyl) piperazinyl, N-(2-N, N-diethyl-ethyl) piperazinyl, N-(3-N, N-dimethyl-propyl)
piperazinyl, N-(3-N, N-diethyl-propyl) piperazinyl, 2-oxo-piperazinyl, N-(N-methylpiperidinyl)
piperazinyl, N-(N-ethylpiperidinyl) piperazinyl, N-(N-acetylpiperidinyl) piperazinyl;
7) morpholino, 3,5-dimethyl morpholinyl, thiomorpholinyl, tetrahydro pyrrolyl, 3-N, N-dimethyl-
tetrahydropyrrolyl, 3-N, N-diethyl tetrahydropyrrolyl.
In some embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano, C1-C6 alkyl,
said C1-C6 alkyl optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano.
In some preferred embodiments, R is selected from: hydrogen, halogen, cyano, C1-C6 alkyl,
said C1-C6 alkyl optionally substituted by halogen, nitro, amino, cyano.
In some more preferred embodiments, R is selected from: hydrogen, fluoro, chloro, methyl.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some preferred embodiments, R is selected from: hydrogen, methyl, ethyl, isopropyl,
cyclopropyl or cyclopentyl.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some preferred embodiments, R is selected from: hydrogen, methyl, ethyl, isopropyl,
cyclopropyl or cyclopentyl.
In some embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano; C1-C6 alkyl,
optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl group, which is optionally
substituted by halogen, nitro, amino, cyano.
In some preferred embodiments, R is selected from: hydrogen, fluoro, chloro, amino, methyl,
trifluoromethyl.
In some embodiments, m2 is selected from 0, 1, 2, 3.
In some preferred embodiments, m2 is selected from 0, 1, 2.
In some embodiments, n2 is selected from 0, 1, 2, 3.
In some preferred embodiments, n2 is selected from 0, 1, 2.
In some embodiments, the pharmaceutically acceptable salt is an inorganic or organic acid salts,
wherein the inorganic salt is a hydrochloride, hydrobromide, hydroiodide, nitrate, bicarbonate, and salts
of carbonates, sulfates or phosphates, the organic acid salt is a formate, acetate, propionate, benzoate,
maleate, fumarate, succinate, tartrate, citrate, ascorbate, alpha-ketoglutarate, alpha-glycerophosphate,
alkyl sulfonate or aryl sulfonate; preferably, the alkyl sulfonate is methylsulfonate or ethylsulfonate;
arylsulfonates as the benzylsulfonate or p-toluenylsulfonate.
A fourth aspect, the present invention provides a compound represented by the following
structural formula:
among them,
n3 is selected from 0,1,2,3 or 4;
R23 is-SO2 X, wherein X is selected from: hydroxy; C1-C6 alkyl, optionally substituted by halogen, nitro,
amino, cyano; C3-C7 cycloalkyl, which is optionally substituted with halogen, nitro, amino, cyano;
R is selected from: hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-
C7 cycloalkyl, which is optionally substituted with halogen, nitro, amino, cyano;
R is selected from:
1) a hydrogen, halo, nitro, amino, cyano;
2) C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; a C1-C6 oxygen-containing alkyl;
3) methylthio, ethylthio, isopropylthio, methylsulfinyl, ethyl sulfinyl, propyl sulfinyl, methylsulfonyl,
ethylsulfonyl, isopropylsulfonyl, amino sulfonyl, ethylamino sulfonyl, propylamino sulfonyl,
isopropylamino-sulfonyl, cyclopropylamino sulfonyl, hydroxyl formyl, methoxyl formyl, ethoxyl formyl,
propoxyl formyl, isopropoxyl formyl, n-butoxyl formyl, isobutoxyl formyl, t-butoxyl formyl, amino
formyl, methylamino formyl, ethylamino formyl, propylamino formyl, isopropylamino formyl,
cyclopropyl aminoformyl, cyclobutyl aminoformyl, cyclopentylaminoformyl, acetamido, propionamido,
n-butyl amido, isobutyl amido, cyclopropyl formamido, cyclobutyl formamido, cyclopentyl formamido,
methylsulfonamido, ethylsulfonamido, propylsulfonamido, isopropylsulfonamido, dimethyl phosphinyl,
diethyl phosphinyl, diisopropyl phosphinyl;
R is selected from: hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-
C7 cycloalkyl, which is optionally substituted with halogen, nitro, amino, cyano;
R is selected from: hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-
C7 cycloalkyl, which is optionally substituted with halogen, nitro, amino, cyano;
Or a stereoisomer of the above compounds, a prodrug thereof, a pharmaceutically acceptable salt thereof,
or a pharmaceutically acceptable solvate thereof.
In some embodiments, R is-SO X, wherein X is selected from: hydroxy; C1-C6 alkyl,
23 2
optionally substituted by halogen, nitro, amino, cyano.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl, optionally substituted by
halogen, nitro, amino, cyano.
In some embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano, C1-C6 alkyl,
optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl, which is optionally substituted
by halogen, nitro, amino, cyano.
In some preferred embodiments, R is selected from: hydrogen, halogen, C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl, C3-C7 cycloalkyl.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl, C3-C7 cycloalkyl.
In some embodiments, n3 is selected from 0, 1, 2, 3.
In some preferred embodiments, n3 is selected from 0, 1, 2.
In some embodiments, the pharmaceutically acceptable salt is an inorganic or organic acid salts,
wherein the inorganic salt is a hydrochloride, hydrobromide, hydroiodide, nitrate, bicarbonate, and salts
of carbonates, sulfates or phosphates, the organic acid salt is a formate, acetate, propionate, benzoate,
maleate, fumarate, succinate, tartrate, citrate, ascorbate, alpha-ketoglutarate, alpha-glycerophosphate,
alkyl sulfonate or aryl sulfonate; preferably, the alkyl sulfonate is methylsulfonate or ethylsulfonate;
arylsulfonates as the benzylsulfonate or p-toluenylsulfonate.
A fifth aspect, the present invention provides a compound represented by the following structural
formula:
n4 is selected from 0, 1 or 2;
R is selected from:
1) selected from the group of five-membered heterocyclic or six-membered heterocyclic rings comprising
one or more N, O and S heteroatoms, the five-membered heterocyclic or six-membered heterocyclic rings
are optionally substituted with C1-C6 alkyl, C1-C6 alkoxy, hydroxy, amino, alkylamino, dialkylamino,
C1-C6 acyl, cyano, optionally substituted C1-C6 alkyl, -O-C1-C6 alkyl, hydroxyl, hydroxyl C1-C6 alkyl,
C1-C6 acyl, alkylamino, dialkylamino substituted heterocyclic group,
including but not limited to: 4-N, N-dimethylamino-piperidinyl, 4-N, N-diethylamino-piperidinyl, 4-N,
N-diisopropylamino-piperidinyl, 4-hydroxyl-piperidinyl, 4-(N-methylpiperazinyl) piperidinyl, 4-(N-ethyl-
piperazinyl) piperidinyl, 4-(N-isopropyl-piperazinyl) piperidinyl, 4-(N-acetyl-piperazinyl) piperidinyl, 4-
(N-tert-butoxyl formyl-piperazinyl) piperidinyl, 4-(N-methylsulfonyl-piperazinyl) piperidinyl, 4-(N-(2-
hydroxylethyl) piperazinyl) piperidinyl, 4-(N-(2-cyanoethyl) piperazinyl) piperidinyl, 4-(N-(3-hydroxyl
propyl) piperazinyl) piperidinyl, 4-(N-(2-N, N-dimethyl-ethyl) piperazinyl) piperidinyl, 4-(N-(2-N, N-
diethyl-ethyl) piperazinyl) piperidinyl, 4-(N-(3-N, N-dimethyl-propyl) piperazinyl) piperidinyl, 4-(N-(3-
N, N-diethyl-propyl) piperazinyl) piperidinyl, 4-(tertahydropyrrolyl) piperidinyl, 4-(3-N, N-dimethyl-
tetrahydropyrrolyl) piperidinyl;
2) amino, cyclopropylamino, cyclobutylamino, cyclopentylamino, cyclohexylamino, N, N-
dimethylamino, N, N-diethylamino, N, N-diisopropylamino, 2-N, N-dimethylamino ethylamino, 2-
hydroxylethylamino, 2-morpholinyl-ethylamino, 2-(4-N-methylpiperazinyl) ethylamino, 3-N, N-
dimethyl-aminopropyl amino, 3-N, N-diethylamino propylamino, 3-N, N-diisopropylamino-propylamino,
3-hydroxypropyl, 3-morpholinyl-propylamino, 3-(4-N-methylpiperazinyl) propylamino, N-methyl-
piperidinylamino, N-ethylpiperidinylamino, N-isopropyl piperidinylamino, N-acetylpiperidinyl-
4-amino; N-methyl-piperazinyl, N-ethyl-piperazinyl, N-isopropyl-piperazinyl, N-acetyl piperazinyl, N-
tert-butoxyl formyl-piperazinyl, N-methylsulfonyl-piperazinyl, N-(2-hydroxylethyl) piperazinyl, N-(2-
cyanoethyl) piperazinyl, N-(3-hydroxylpropyl) piperazinyl, N-(2-N, N-dimethylethyl) piperazinyl, N-(2-
N, N-diethyl aminoethyl) piperazinyl, N-(3-N, N-dimethyl-propyl) piperazinyl, N-(3-N, N-diethyl-propyl)
piperazinyl, 2-oxo-piperazinyl, N-(N-methylpiperidinyl) piperazinyl, N-(N-ethylpiperidinyl)
piperazinyl, N-(N-acetylpiperidinyl) piperazinyl; morpholinyl, 3,5-dimethyl morpholinyl,
thiomorpholinyl, tetrahydropyrrolyl, 3-N, N-dimethyl-tetrahydropyrrolyl, 3-N, N-diethyl-
tetrahydropyrrolyl;
3) C1-C6 alkyl, optionally substituted by halogen, nitro, cyano;
4) C3-C7 cycloalkyl, which is optionally substituted by halogen, nitro, cyano;
)-O-C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano;
6)-O-C3-C7 cycloalkyl, which is optionally substituted by halogen, nitro, amino, cyano;
7) C6-C10 aryl, which is optionally substituted by halogen, nitro, amino, cyano; -O-C6-C10 aryl, which is
optionally substituted by halogen, nitro, amino, cyano;
8) C2-C6 alkenyl;
9) hydroxyl, 2-N, N-dimethylaminoethoxyl, 2-N, N-diethyl-aminoethoxyl, 2-N, N-diisopropyl-
aminoethoxyl, 2-( N-methylpiperazinyl) ethoxyl, 2-(N-acetyl-piperazinyl) ethoxyl, 2-morpholinyl-
ethoxyl, 2-thiomorpholinyl ethoxyl, 2-piperidinyl-ethoxyl, 3-N, N-dimethylamino-propoxyl, 3-N, N-
diethylamino-propoxyl, 3-N, N-diisopropylamino propoxyl, 3-(N-methylpiperazinyl) propoxyl, 3-(N-
acetyl-piperazinyl) propoxyl, 3-morpholinyl-propoxyl, 3-thiomorpholinyl propoxyl, 3-piperidinyl-
propoxyl, 2-pyridyl-methoxyl, 3-pyridyl-methoxyl, 4-pyridyl methoxyl, phenylmethoxyl, monhalogen-
substituted phenylmethoxyl, homodihalogen substituted phenylmethoxyl, heterodihalo-substituted
phenylmethoxyl;
R is selected from:
1) a hydrogen, halo, nitro, amino, cyano;
2) C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; C1-C6 oxygen-containing alkyl;
3) methylthio, ethylthio, isopropylthio, methylsulfinyl, ethyl sulfinyl, propyl sulfinyl, methylsulfonyl,
ethylsulfonyl, isopropylsulfonyl, amino sulfonyl, ethylamino sulfonyl, propylamino sulfonyl,
isopropylamino sulfonyl, cyclopropylamino sulfonyl, hydroxyl formyl, methoxyl formyl, ethoxyl formyl,
propoxyl formyl, isopropoxyl formyl, n-butoxyl formyl, isobutoxyl formyl, t-butoxyl formyl, amino
formyl, methylamino formyl, ethylamino formyl, propylamino formyl, isopropylamino formyl,
cyclopropylamino formyl, cyclobutylamino formyl, cyclopentylamino formyl,, acetamido, propionamido,
n-butylamido, isobutyl amido, cyclopropyl formamido, cyclobutyl formamido, cyclopentyl formamido,
methylsulfonamido, ethylsulfonamido, propylsulfonamido, isopropylsulfonamido, dimethyl phosphinyl,
diethyl phosphinyl, diisopropyl phosphinyl;
R is selected from:
hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl, which
is optionally substituted by halogen, nitro, amino, cyano;
R is selected from:
hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl, which
is optionally substituted by halogen, nitro, amino, cyano;
Or a stereoisomer of the above compounds, a prodrug thereof, a pharmaceutically acceptable salt thereof,
or a pharmaceutically acceptable solvate thereof.
In some embodiments, R is selected from:
1) C1-C6 alkyl, C3-C7 cycloalkyl;
2) amino, cyclopropylamino, cyclopentylamino, cyclohexylamino, N, N-dimethylamino, N, N-
diethylamino, N, N-diisopropylamino, 2-N, N-dimethylamino, diethylamino, 2-hydroxyethylamino, 2-
morpholino-ethylamino, 2-(4-N-piperazinyl-methyl) ethylamino, N-methylpiperidinylamino, N-
ethylpiperidinylamino, N-isopropyl-piperidinylamino, N-acetyl-piperidinylamino;
3) hydroxyl, 2-N, N-dimethylaminoethoxyl, 2-N, N-diethyl-aminoethoxyl, 2-N, N-diisopropyl-
aminoethoxyl, 2-( N-methylpiperazinyl) ethoxyl, 2-(N-acetyl-piperazinyl) ethoxyl, 2-morpholinyl-
ethoxyl, 2-thiomorpholinyl ethoxyl, 2-piperidinyl-ethoxyl, 3-N, N-dimethylamino-propoxyl, 3-N, N-
diethylamino-propoxyl, 3-N, N-diisopropylamino propoxyl, 3-(N-methylpiperazinyl) propoxyl, 3-(N-
acetyl-piperazinyl) propoxyl, 3-morpholinyl-propoxyl, 3-thiomorpholinyl propoxyl, 3-piperidinyl-
propoxyl, 2-pyridyl-methoxyl, 3-pyridyl-methoxyl, 4-pyridyl-methoxyl;
4) piperidinyl, 4-N, N-dimethylamino-piperidinyl, 4-hydroxylpiperidinyl, 4-(N-methylpiperazinyl)
piperidinyl, 4-(N-ethyl-piperazinyl) piperidinyl, 4-(N-acetyl-piperazinyl) piperidinyl, 4-(N-tert-butoxyl
formyl-piperazinyl) piperidinyl, 4-(N-methylsulfonyl-piperazinyl) piperidinyl, 4-(N-(2-hydroxyethyl)
piperazinyl) piperidinyl, 4-(N-(2-cyanoethyl) piperazinyl) piperidinyl, 4-( N-(3-hydroxypropyl)
piperazinyl) piperidinyl, 4-(N-(2-N, N-dimethyl-ethyl) piperazinyl) piperidinyl, 4-(N-(2-N, N-diethyl-
ethyl) piperazinyl) piperidinyl, 4-(N-(3-N, N-dimethyl-propyl) piperazinyl) piperidinyl, 4-(N-(3-N, N-
diethyl-propyl) piperazinyl) piperidinyl, 4-(tetrahydropyrrolyl) piperidinyl, 4-(3-N, N-dimethyl-
tetrahydropyrrolyl) piperidinyl;
) N-methyl-piperazinyl, N-ethyl-piperazinyl, N-isopropyl-piperazinyl, N-acetyl-piperazinyl, N-(2-
hydroxyethyl) piperazinyl, N-(2-cyanoethyl) piperazinyl, N-(3-hydroxypropyl) piperazinyl, N-(2-N, N-
dimethylethyl) piperazinyl, N-(2-N, N-diethyl-ethyl) piperazinyl, N-(3-N, N-dimethyl-propyl)
piperazinyl, N-(3-N, N-diethyl-propyl) piperazinyl, 2-oxo-piperazinyl, N-(N-methylpiperidinyl)
piperazinyl, N-(N-ethylpiperidinyl) piperazinyl, N-(N-acetylpiperidinyl) piperazinyl;
6) morpholinyl, 3,5-dimethyl morpholinyl, thiomorpholinyl, tetrahydropyrrolyl, 3-N, N-dimethyl-
tetrahydropyrrolyl, 3-N, N-diethyl tetrahydropyrrolyl.
In some preferred embodiments, R is selected from:
1) methyl, ethyl, isopropyl, trifluoromethyl;
2) amino, cyclopropylamino, N, N-dimethylamino, N, N-diethylamino, N, N-diisopropylamino;
3) hydroxy;
4) piperidinyl, 4-N, N-dimethylamino-piperidinyl, 4-hydroxypiperidinyl, 4-(N-methylpiperazinyl)
piperidinyl, 4-(tetrahydro-pyrrolyl) piperidinyl, 4-(3-N, N-dimethyl-tetrahydropyrrolyl) piperidinyl;
) N-methyl-piperazinyl, N-ethyl-piperazinyl, N-isopropyl-piperazinyl, N-acetyl-piperazinyl, N-(2-
hydroxylethyl) piperazinyl, N-(2-cyanoethyl) piperazinyl, N-(3-hydroxylpropyl) piperazinyl, N-(2-N, N-
dimethylethyl) piperazinyl, N-(2-N, N-diethyl-ethyl) piperazinyl, N-(3-N, N-dimethyl-propyl)
piperazinyl, N-(3-N, N-diethyl-propyl) piperazinyl, 2-oxo-piperazinyl, N-(N-methylpiperidinyl)
piperazinyl, N-(N-ethylpiperidinyl) piperazinyl, N-(N-acetylpiperidinyl) piperazinyl;
6) morpholinyl, 3,5-dimethyl morpholinyl, thiomorpholinyl, tetrahydropyrrolyl, 3-N, N-dimethyl-
tetrahydropyrrolyl, 3-N, N-diethyl tetrahydropyrrolyl.
In some embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano, C1-C6 alkyl,
said C1-C6 alkyl optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano.
In some preferred embodiments, R is selected from: hydrogen, halogen, cyano, C1-C6 alkyl,
said C1-C6 alkyl optionally substituted by halogen, nitro, amino, cyano.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some preferred embodiments, R is selected from: hydrogen, methyl, ethyl, isopropyl,
cyclopropyl or cyclopentyl.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some preferred embodiments, R is selected from: hydrogen, methyl, ethyl, isopropyl,
cyclopropyl or cyclopentyl.
In some embodiments, n4 selected from 0, 1, 2, 3
In some preferred embodiments, n4 selected from 0, 1, 2.
In some embodiments, the pharmaceutically acceptable salt is an inorganic or organic acid salts,
wherein the inorganic salt is a hydrochloride, hydrobromide, hydroiodide, nitrate, bicarbonate, and salts
of carbonates, sulfates or phosphates, the organic acid salt is a formate, acetate, propionate, benzoate,
maleate, fumarate, succinate, tartrate, citrate, ascorbate, alpha-ketoglutarate, alpha-glycerophosphate,
alkyl sulfonate or aryl sulfonate; preferably, the alkyl sulfonate is methylsulfonate or ethylsulfonate;
arylsulfonates as the benzylsulfonate or p-toluenylsulfonate.
A sixth aspect, the present invention provides a compound represented by the following structural
formula:
m5 is selected from 0, 1, 2, 3 or 4;
n5 is selected from 0, 1 or 2;
R R are independently selected from:
, 25
1) hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl,
which is optionally substituted by halogen, nitro, amino, cyano; a C1-C6 oxygen-containing alkyl;
2)-SO C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -SO C2-C6 alkenyl, which is
optionally substituted with halogen, nitro, amino, cyano substituted; -COC1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; -COC2-C6 alkenyl, which is optionally substituted by
halogen, nitro, amino, cyano;
Or, together with R and R and the N atom to which they are attached forming a hexaheterocyclic ring
25
that contains one or more heteroatoms selected from N, O and S, said hexahetrerocyclic ring is optionally
substituted with C1-C6 alkyl, hydroxyl, or amino group;
R is selected from:
1) a hydrogen, halo, nitro, amino, cyano;
2) C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; a C1-C6 oxygen-containing alkyl;
3) methylthio, ethylthio, isopropylthio, methylsulfinyl, ethyl sulfinyl, propyl sulfinyl, methylsulfonyl,
ethylsulfonyl, isopropylsulfonyl, amino sulfonyl,ethylamino sulfonyl, propylamino sulfonyl,
isopropylamino-sulfonyl, cyclopropylamino sulfonyl, hydroxyl formyl, methoxyl formyl, ethoxyl formyl,
propoxyl formyl, isopropoxyl formyl, nbutoxyl formyl, isobutoxyl formyl, t-butoxyl formyl, amino
formyl, methylamino formyl, ethylamino formyl, propylamino formyl, isopropylamino formyl,
cyclopropylamino formyl, cyclobutylamino formyl, cyclopentylamino formyl, acetamido, propionamido,
n-butyl amido, isobutyl amido, cyclopropyl formamido, cyclobutyl formamido, cyclopentyl formamido,
methylsulfonamido, ethylsulfonamido, propylsulfonamido, isopropylsulfonamido, dimethyl phosphinyl,
diethyl phosphinyl, diisopropyl phosphinyl;
R is selected from:
hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl, which
is optionally substituted by halogen, nitro, amino, cyano;
R is selected from:
hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl, which
is optionally substituted by halogen, nitro, amino, cyano;
R is selected from:
1) a hydrogen, halo, nitro, amino, cyano;
2) C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; a C1-C6 oxygen-containing alkyl;
3) methylthio, ethylthio, isopropylthio, methylsulfinyl, ethyl sulfinyl, propyl sulfinyl, methaylsulfonyl,
ethylsulfonyl, isopropylsulfonyl, amino sulfonyl, ethylamino sulfonyl, propylamino sulfonyl,
isopropylamino-sulfonyl, cyclopropylamino sulfonyl, hydroxyl formyl, methoxyl formyl, ethoxyl formyl,
propoxyl formyl, isopropoxyl formyl, n-butoxyl formyl, isobutoxyl formyl, t-butoxyl formyl, amino
formyl, methylamino formyl, ethylamino formyl, propylamino formyl, isopropylamino formyl,
cyclopropylamino formyl, cyclobutylamino formyl, cyclopentylamino formyl,acetamido, propionamido,
n-butyl amido, isobutyl amido, cyclopropyl formamido, cyclobutyl foramido, cyclopentyl foramido,
methylsulfonamido, ethylsulfonamido, propylsulfonamido, isopropylsulfonamido, dimethyl phosphinyl,
diethyl phosphinyl, diisopropyl phosphinyl;
Or a stereoisomer of the above compounds, a prodrug thereof, a pharmaceutically acceptable salt thereof,
or a pharmaceutically acceptable solvate thereof.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl, optionally substituted by
halogen, nitro, amino, cyano; -SO C1-C6 alkyl, optionally substituted with halogen, nitro, amino, cyano;
-SO C2-C6 alkenyl, which is optionally substituted by halogen, nitro, amino, cyano; -COC1-C6 alkyl,
optionally substituted with halogen, nitro group, an amino group, a cyano-substituted; -COC2-C6 alkenyl,
which is optionally substituted by halogen, nitro, amino, cyano.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl, optionally substituted by
halogen, nitro, amino, cyano.
In some preferred embodiments, R is hydrogen.
In some embodiments, R and R together with the N atom to which they are attached form a
25
hexaheterocyclic ring contain one or more heteroatoms selected from N, O and S, the hexaheterocyclic
ring is optionally substituted with C1-C6 alkyl, hydroxy, amino.
In some preferred embodiments, R and R together with the N atom to which they are attached
25
form a piperidine ring, a piperazine ring, a piperidine ring, or a piperazine ring, which is optionally
substituted with a C1-C6 alkyl, or hydroxyl.
In some embodiments, the, R is selected from: hydrogen, halo, nitro, amino, cyano, C1-C6
alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl alkyl optionally
substituted by halogen, nitro, amino, cyano.
In some preferred embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano, C1-C6
alkyl.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some preferred embodiments, R is selected from: hydrogen, methyl, ethyl, isopropyl,
cyclopropyl or cyclopentyl.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some preferred embodiments, R is selected from: hydrogen, methyl, ethyl, isopropyl,
cyclopropyl or cyclopentyl.
In some embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano, C1-C6 alkyl,
optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl, which is optionally substituted
by halogen, nitro, amino, cyano.
In some preferred embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano, C1-C6
alkyl.
In some embodiments, m5 selected from 0,1,2,3.
In some preferred embodiments, m5 selected from 0,1,2.
In some embodiments, n5 is selected from 0,1.
In some preferred embodiments, n5 is zero.
In some embodiments, the pharmaceutically acceptable salt is an inorganic or organic acid salts,
wherein the inorganic salt is a hydrochloride, hydrobromide, hydroiodide, nitrate, bicarbonate, and salts
of carbonates, sulfates or phosphates, the organic acid salt is a formate, acetate, propionate, benzoate,
maleate, fumarate, succinate, tartrate, citrate, ascorbate, alpha-ketoglutarate, alpha-glycerophosphate,
alkyl sulfonate or aryl sulfonate; preferably, the alkyl sulfonate is methylsulfonate or ethylsulfonate;
arylsulfonates as the benzylsulfonate or p-toluenylsulfonate.
A seventh aspect, the present invention provides a compound represented by the following
structural formula:
n6 is selected from 0, 1 or 2;
R16 is selected from:
1) hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl,
which is optionally substituted by halogen, nitro, amino, cyano; a C1-C6 oxygen-containing alkyl;
2)-SO2 C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -SO2C2-C6 alkenyl, which is
optionally substituted with halogen, nitro, amino, cyano substituted; -COC1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; -COC2-C6 alkenyl, which is optionally substituted by
halogen, nitro, amino, cyano;
3) piperidinyl, 4-N, N-dimethylamino-piperidinyl, 4-N, N-diethylamino-piperidinyl, 4-N, N-
diisopropylamino-piperidinyl, 4-hydroxyl piperidinyl, 4-(N-methylpiperazinyl) piperidinyl, 4-(N-ethyl-
piperazinyl) piperidinyl, 4-(N-isopropyl-piperazinyl) piperidine, 4-(N-acetyl-piperazinyl) piperidinyl, 4-
(N-tert-butoxyl formyl-piperazinyl) piperidinyl, 4-(N-methylsulfonyl-piperazinyl) piperidinyl, 4-(N-(2-
hydroxylethyl) piperazinyl) piperidinyl, 4-(N-(2-cyanoethyl) piperazinyl) piperidinyl, 4-(N-(3-
hydroxylpropyl) piperazinyl) piperidinyl, 4-(N-(2-N, N-dimethyl-ethyl) piperazinyl) piperidinyl, 4-(N-(2-
N, N-diethyl ethyl) piperazinyl) piperidinyl, 4-(N-(3-N, N-dimethyl-propyl) piperazinyl) piperidinyl, 4-
(N-(3-N, N-diethyl-propyl) piperazinyl) piperidinyl, 4-(tetrahydropyrrolyl) piperidinyl, 4-(3-N, N-
dimethyl-tetrahydropyrrolyl) piperidinyl;
R is selected from:
1) a hydrogen, halo, nitro, amino, cyano;
2) C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; a C1-C6 oxygen-containing alkyl;
3) methylthio, ethylthio, isopropylthio, methylsulfinyl, ethyl sulfinyl, propyl sulfinyl, methylesulfonyl,
ethylsulfonyl, isopropylsulfonyl, amino sulfonyl,ethylamino sulfonyl, propylamino sulfonyl,
isopropylamino-sulfonyl, cyclopropylamino sulfonyl, hydroxyl formyl, methoxyl formyl, ethoxyl formyl,
propoxyl formyl, isopropoxyl formyl, n-butoxyl formyl, isobutoxyl formyl, t-butoxyl formyl, amino
formyl, methylamino formyl, ethylamino formyl, propylamino formyl, isopropylamino formyl,
cyclopropylamino formyl, cyclobutylamino formyl, cyclopentylamino formyl, acetamido, propionamido,
n-butyl amido, isobutyl amido, cyclopropyl formamido, cyclobutyl formamido, cyclopentyl formamido,
methylsulfonamido, ethylsulfonamido, propylsulfonamido, isopropylsulfonamido, dimethyl phosphinyl,
diethyl phosphinyl, diisopropyl phosphinyl;
R is selected from: hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-
C7 cycloalkyl, which is optionally substituted with halogen, nitro, amino, cyano;
R is selected from: hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-
C7 cycloalkyl, which is optionally substituted with halogen, nitro, amino, cyano;
Or a stereoisomer of the above compounds, a prodrug thereof, a pharmaceutically acceptable salt thereof,
or a pharmaceutically acceptable solvate thereof.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl; -SO C1-
16 2
C6 alkyl; -SO C2-C6 alkenyl group; -COC1-C6 alkyl, which is optionally substituted by halogen, nitro,
amino, cyano; -COC2-C6 alkenyl, which is optionally substituted by halogen, nitro, amino, cyano.
In some preferred embodiments, R is selected from hydrogen; hydrogen; methyl, ethyl,
isopropyl, cyclopropyl; methylsulfonyl, ethylsulfonyl, isopropylsulfonyl, vinylsulfonyl; acetyl,
chloroacetyl, bromoacetyl, acryloyl, 4-N, N-dimethylaminobutenoyl, 4-tetrahydro-pyrrolylbutenoyl.
In some embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano, C1-C6 alkyl,
optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl, which is optionally substituted
by halogen, nitro, amino, cyano.
In some preferred embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano, C1-C6
alkyl.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some embodiments, n6 is selected from 0,1.
In some preferred embodiments, n6 is 0.
In some embodiments, the pharmaceutically acceptable salt is an inorganic or organic acid salts,
wherein the inorganic salt is a hydrochloride, hydrobromide, hydroiodide, nitrate, bicarbonate, and salts
of carbonates, sulfates or phosphates, the organic acid salt is a formate, acetate, propionate, benzoate,
maleate, fumarate, succinate, tartrate, citrate, ascorbate, alpha-ketoglutarate, alpha-glycerophosphate,
alkyl sulfonate or aryl sulfonate; preferably, the alkyl sulfonate is methylsulfonate or ethylsulfonate;
arylsulfonates as the benzylsulfonate or p-toluenylsulfonate.
An eighth aspect, the present invention provides a compound represented by the following
structural formula:
n7 is selected from 0, 1 or 2;
R is selected from:
1) hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl,
which is optionally substituted by halogen, nitro, amino, cyano; a C1-C6 oxygen-containing alkyl;
2)-SO C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -SO C2-C6 alkenyl, which is
optionally substituted with halogen, nitro, amino, cyano substituted; -COC1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; -COC2-C6 alkenyl, which is optionally substituted by
halogen, nitro, amino, cyano;
3) piperidinyl, 4-N, N-dimethylamino-piperidinyl, 4-N, N-diethylamino-piperidinyl, 4-N, N-
diisopropylamino-piperidinyl, 4-hydroxyl piperidinyl, 4-(N-methylpiperazinyl) piperidinyl, 4-(N-ethyl-
piperazinyl) piperidinyl, 4-(N-isopropyl-piperazinyl) piperidinyl, 4-(N-acetyl-piperazinyl) piperidinyl, 4-
(N-tert-butoxyl formyl-piperazinyl) piperidinyl, 4-(N-methylsulfonyl-piperazinyl) piperidinyl, 4-(N-(2-
hydroxylethyl) piperazinyl) piperidinyl, 4-(N-(2-cyanoethyl) piperazinyl) piperidinyl, 4-(N-(3-
hydroxylpropyl) piperazinyl) piperidinyl, 4-(N-(2-N, N-dimethyl-ethyl) piperazinyl) piperidinyl, 4-(N-(2-
N, N-diethyl ethyl) piperazinyl) piperidinyl, 4-(N-(3-N, N-dimethyl-propyl) piperazinyl) piperidinyl, 4-
(N-(3-N, N-diethyl-propyl) piperazinyl) piperidinyl, 4-(tetrahydropyrrolyl) piperidinyl, 4-(3-N, N-
dimethyl-tetrahydropyrrolyl) piperidinyl;
R is selected from:
1) a hydrogen, halo, nitro, amino, cyano;
2) C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; a C1-C6 oxygen-containing alkyl;
3) methylthio, ethylthio, isopropylthio, methylsulfinyl, ethyl sulfinyl, propyl sulfinyl, methylsulfonyl,
ethylsulfonyl, isopropylsulfonyl, amino sulfonyl, ethylamino sulfonyl, propylamino sulfonyl,
isopropylamino-sulfonyl, cyclopropylamino sulfonyl, hydroxyl formyl, methoxyl formyl, ethoxyl formyl,
propoxyl formyl, isopropoxyl formyl, n-butoxyl formyl, isobutoxyl formyl, t-butoxyl formyl, amino
formyl, methylamino formyl, ethylamino formyl, propylamino formyl, isopropylamino formyl,
cyclopropylamino formyl, cyclobutylamino formyl, cyclopentylamino formyl, acetamido, propionamido,
n-butyl amido, isobutyl amido, cyclopropyl formamido, cyclobutyl formamido, cyclopentyl formamido,
methylsulfonamido, ethylsulfonamido, propylsulfonamido, isopropylsulfonamido, dimethyl phosphinyl,
diethyl phosphinyl, diisopropyl phosphinyl;
R is selected from:
Hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl, which
is optionally substituted by halogen, nitro, amino, cyano;
R is selected from:
Hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl, which
is optionally substituted by halogen, nitro, amino, cyano;
Or a stereoisomer of the above compounds, a prodrug thereof, a pharmaceutically acceptable salt thereof,
or a pharmaceutically acceptable solvate thereof.
In some embodiments, R is selected from hydrogen; hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl;
-SO C1-C6 alkyl; -SO C2-C6 alkenyl; -COC1-C6 alkyl, which is optionally substituted by halogen,
nitro, amino, cyano; -COC2-C6 alkenyl, which is optionally substituted by halogen, nitro, amino, cyano.
In some preferred embodiments, R is selected from hydrogen; hydrogen; methyl, ethyl,
isopropyl, cyclopropyl; methylsulfonyl, ethylsulfonyl, isopropylsulfonyl, vinylsulfonyl; acetyl,
chloroacetyl, bromoacetyl, acryloyl, 4-N, N-dimethylaminobutenoyl, 4-tetrahydro-pyrrolidin
butenoyl.
In some embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano, C1-C6 alkyl,
optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl, which is optionally substituted
by halogen, nitro, amino, cyano.
In some preferred embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano, C1-C6
alkyl.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some embodiments, n7 is selected from 0, 1.
In some preferred embodiments, n7 is zero.
In some embodiments, the pharmaceutically acceptable salt is an inorganic or organic acid salts,
wherein the inorganic salt is a hydrochloride, hydrobromide, hydroiodide, nitrate, bicarbonate, and salts
of carbonates, sulfates or phosphates, the organic acid salt is a formate, acetate, propionate, benzoate,
maleate, fumarate, succinate, tartrate, citrate, ascorbate, alpha-ketoglutarate, alpha-glycerophosphate,
alkyl sulfonate or aryl sulfonate; preferably, the alkyl sulfonate is methylsulfonate or ethylsulfonate;
arylsulfonates as the benzylsulfonate or p-toluenylsulfonate.
A ninth aspect, the present invention provides a compound represented by the following structural
formula:
n8 is selected from 0, 1 or 2;
R is selected from:
1) selected from the group of five-membered heterocyclic or six-membered heterocyclic rings comprising
one or more heteroatoms selected from N, O and S, the five-membered heterocyclic or six-membered
heterocyclic rings are optionally substituted with C1-C6 alkyl, C1-C6 alkoxy, hydroxy, amino, C1-C6
acyl, a cyano, a substituted heterocyclic group,
including but not limited to: 4-N, N-dimethylamino-piperidinyl, 4-N, N-diethylamino-piperidinyl, 4-N,
N-diisopropylamino-piperidinyl, 4-hydroxyl-piperidinyl, 4-(N-methylpiperazinyl) piperidinyl, 4-(N-ethyl-
piperazinyl) piperidinyl, 4-(N-isopropyl-piperazinyl) piperidinyl, 4-(N-acetyl-piperazinyl) piperidinyl, 4-
(N-tert-butoxyl formyl-piperazinyl) piperidinyl, 4-(N-methylsulfonyl-piperazinyl) piperidinyl, 4-(N-(2-
hydroxyethyl) piperazinyl) piperidinyl, 4-(N-(2-cyanoethyl) piperazinyl) piperidinyl, 4-(N-(3-hydroxyl
propyl) piperazinyl) piperidinyl, 4-(N-(2-N, N-dimethyl-ethyl) piperazinyl) piperidinyl, 4-(N-(2-N, N-
diethyl-ethyl) piperazinyl) piperidinyl, 4-(N-(3-N, N-dimethyl-propyl) piperazinyl) piperidinyl, 4-(N-(3-
N, N-diethyl-propyl) piperazinyl) piperidinyl, 4-(tetrahydropyrrolyl) piperidinyl, 4-(3-N, N-dimethyl-
tetrahydropyrrolyl) piperidinyl;
2) amino, cyclopropylamino, cyclobutylamino, cyclopentylamino, cyclohexylamino, N, N-
dimethylamino, N, N-diethylamino, N, N-diisopropylamino, 2-N, N-dimethylethylamino, 2-
hydroxyethylamino, 2-morpholinyl-ethylamino, 2-(4-N-methylpiperazinyl) ethylamino, 3-N, N-dimethyl-
aminopropyl amino, 3-N, N-diethylamino propylamino, 3-N, N-diisopropylpropylamino, 3-
hydroxypropyl amino, 3-morpholinyl-propylamino, 3-(4-N-methylpiperazinyl) propylamino, N-
methylpiperidinyamino, N-ethylpiperidinylamino, N-isopropyl piperidinylamino, N-
acetylpiperidinylamino; N-methyl-piperazinyl, N-ethyl-piperazinyl, N-isopropyl-piperazinyl, N-acetyl
piperazinyl, N-tert-butoxyl formyl-piperazinyl, N-methylsulfonyl-piperazinyl, N-(2-hydroxylethyl)
piperazinyl, N-(2-cyanoethyl) piperazinyl, N-(3-hydroxylpropyl) piperazinyl, N-(2-N, N-dimethylethyl)
piperazinyl, N-(2-N, N-diethyl aminoethyl) piperazinyl, N-(3-N, N-dimethyl-propyl) piperazinyl, N-(3-N,
N-diethyl-propyl) piperazinyl, 2-oxo-piperazinyl, N-(N-methylpiperidinyl) piperazinyl, N-(N-ethyl-
4-piperidinyl) piperazinyl, N-(N-acetylpiperidinyl) piperazinyl; morpholinyl, 3,5-dimethyl
morpholinyl, thiomorpholinyl, tetrahydropyrrolyl, 3-N, N-dimethyl-tetrahydropyrrolyl, 3-N, N-diethyl-
tetrahydropyrrolyl;
3) C1-C6 alkyl, optionally substituted by halogen, nitro, cyano;
4) C3-C7 cycloalkyl, which is optionally substituted by halogen, nitro, cyano;
)-O-C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano;
6)-O-C3-C7 cycloalkyl, which is optionally substituted by halogen, nitro, amino, cyano;
7) C6-C10 aryl, which is optionally substituted by halogen, nitro, amino, cyano; -O-C6-C10 aryl, which is
optionally substituted by halogen, nitro, amino, cyano;
8) C2-C6 alkenyl;
9) hydroxyl, 2-N, N-dimethylaminoethoxyl, 2-N, N-diethyl-aminoethoxyl, 2-N, N-diisopropyl-
aminoethoxyl, 2-( N-methylpiperazine-yl) ethoxyl, 2-(N-acetyl-piperazinyl) ethoxyl, 2-morpholinyl-
ethoxyl, 2-thiomorpholinyl ethoxyl, 2-piperidinyl-ethoxyl, 3-N, N-dimethylamino-propoxyl, 3-N, N-
diethylamino-propoxyl, 3-N, N-diisopropylamino propoxyl, 3-(N-methylpiperazinyl) propoxyl, 3-(N-
acetyl-piperazinyl) propoxyl, 3-morpholinyl-propoxyl, 3-thiomorpholinyl propoxyl, 3-piperidinyl-
propoxyl, 2-pyridyl-methoxyl, 3-pyridyl-methoxyl, 4-pyridyl methoxyl, phenylmethoxyl, monohalogen-
substituted phenylmethoxyl, homodihalogen-substituted phenylmethoxyl, heterodihalogen-substituted
phenylmethoxyl;
R is selected from:
1) a hydrogen, halo, nitro, amino, cyano;
2) C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; a C1-C6 oxygen-containing alkyl;
3) methylthio, ethylthio, isopropylthio, methylsulfinyl, ethyl sulfinyl, propyl sulfinyl, methylsulfonyl,
ethylsulfonyl, isopropylsulfonyl, amino sulfonyl, ethylamino sulfonyl, propylamino sulfonyl,
isopropylamino sulfonyl, cyclopropylamino sulfonyl, hydroxyl formyl, methoxyl formyl, ethoxyl formyl,
propoxyl formyl, isopropoxyl formyl, n-butoxyl formyl, isobutoxyl formyl, t-butoxyl formyl, amino
formyl, methylamino formyl, ethylamino formyl, propylamino formyl, isopropylamino formyl,
cyclopropylamino formyl, cyclobutylamino formyl, cyclopentylamino formyl, acetamido, propionamido,
n-butyl amido, isobutyl amido, cyclopropyl formamido, cyclobutyl formamido, cyclopentyl formamido,
methylsulfonamido, ethylsulfonamido, propylsulfonamido, isopropylsulfonamido, dimethyl phosphinyl,
diethyl phosphinyl, diisopropyl phosphinyl;
R is selected from: hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-
C7 cycloalkyl, which is optionally substituted with halogen, nitro, amino, cyano;
R is selected from: hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-
C7 cycloalkyl, which is optionally substituted with halogen, nitro, amino, cyano;
Or a stereoisomer of the above compounds, a prodrug thereof, a pharmaceutically acceptable salt thereof,
or a pharmaceutically acceptable solvate thereof.
In some embodiments, R is selected from:
1) C1-C6 alkyl, C3-C7 cycloalkyl;
2) amino, cyclopropylamino, cyclopentylamino, cyclohexylamino, N, N-dimethylamino, N, N-
diethylamino, N, N-diisopropylamino, 2-N, N-dimethylamino, diethylamino, 2-hydroxylethylamino, 2-
morpholinyl-ethylamino, 2-(4-N-piperazinyl-methyl) ethylamino, N-methylpiperidinylamino, N-
ethylpiperidinylamino, N-isopropyl-piperidinylamino, N-acetyl-piperidinylamino;
3) hydroxyl, 2-N, N-dimethylaminoethoxyl, 2-N, N-diethyl-aminoethoxyl, 2-N, N-diisopropyl-
aminoethoxyl, 2-( N-methylpiperazinyl) ethoxyl, 2-(N-acetyl-piperazinyl) ethoxyl, 2-morpholinyl-
ethoxyl, 2-thiomorpholinyl ethoxyl, 2-piperidinyl-ethoxyl, 3-N, N-dimethylamino-propoxyl, 3-N, N-
diethylamino-propoxyl, 3-N, N-diisopropylamino propoxyl, 3-(N-methylpiperazinyl) propoxyl, 3-(N-
acetyl-piperazinyl) propoxyl, 3-morpholinyl-propoxyl, 3-thiomorpholinyl propoxyl, 3-piperidinyl-
propoxyl, 2-pyridyl methoxyl, 3-pyridyl-methoxy, 4-pyridyl methoxyl;
4) piperidinyl, 4-N, N-dimethylamino-piperidinyl, 4-hydroxypiperidinyl, 4-(N-methylpiperazinyl)
piperidinyl, 4-(N-ethyl-piperazinyl) piperidinyl, 4-(N-acetyl-piperazinyl) piperidinyl, 4-(N-tert-butoxyl
formyl-piperazinyl) piperidinyl, 4-(N-methylsulfonyl-piperazinyl) piperidinyl, 4-(N-(2-hydroxyethyl)
piperazinyl) piperidinyl, 4-(N-(2-cyanoethyl) piperazinyl) piperidinyl, 4-( N-(3-hydroxypropyl)
piperazinyl) piperidinyl, 4-(N-(2-N, N-dimethyl-ethyl) piperazinyl) piperidinyl, 4-(N-(2-N, N-diethyl-
ethyl) piperazinyl) piperidinyl, 4-(N-(3-N, N-dimethyl-propyl) piperazinyl) piperidinyl, 4-(N-(3-N, N-
diethyl-propyl) piperazinyl) piperidinyl, 4-(tetrahydropyrrolyl) piperidinyl, 4-(3-N, N-dimethyl-
tetrahydropyrrolyl) piperidinyl;
) N-methyl-piperazinyl, N-ethyl-piperazinyl, N-isopropyl-piperazinyl, N-acetyl-piperazinyl, N-(2-
hydroxylethyl) piperazinyl, N-(2-cyanoethyl) piperazinyl, N-(3-hydroxylpropyl) piperazinyl, N-(2-N, N-
dimethylethyl) piperazinyl, N-(2-N, N-diethyl-ethyl) piperazinyl, N-(3-N, N-dimethyl-propyl)
piperazinyl, N-(3-N, N-diethyl-propyl) piperazinyl, 2-oxo-piperazinyl, N-(N-methylpiperidinyl)
piperazinyl, N-(N-ethylpiperidinyl) piperazinyl, N-(N-acetylpiperidinyl) piperazinyl;
6) morpholinyl, 3,5-dimethyl morpholinyl, thiomorpholinyl, tetrahydropyrrolyl, 3-N, N-dimethyl-
tetrahydropyrrolyl, 3-N, N-diethyl tetrahydropyrrolyl.
In some preferred embodiments, R is selected from:
1) methyl, ethyl, isopropyl, trifluoromethyl;
2) amino, cyclopropylamino, N, N-dimethylamino, N, N-diethylamino, N, N-diisopropylamino;
3) hydroxy;
4) piperidinyl, 4-N, N-dimethylamino-piperidinyl, 4-hydroxypiperidinyl, 4-(N-methylpiperazinyl)
piperidinyl, 4-(tetrahydro-pyrrolyl) piperidinyl, 4-(3-N, N-dimethyl-tetrahydropyrrolyl) piperidinyl;
) N-methyl-piperazinyl, N-ethyl-piperazinyl, N-isopropyl-piperazinyl, N-acetyl-piperazinyl, N-(2-
hydroxylethyl) piperazinyl, N-(2-cyanoethyl) piperazinyl, N-(3-hydroxylpropyl) piperazinyl, N-(2-N, N-
dimethylethyl) piperazinyl, N-(2-N, N-diethyl-ethyl) piperazinyl, N-(3-N, N-dimethyl-propyl)
piperazinyl, N-(3-N, N-diethyl-propyl) piperazinyl, 2-oxo-piperazinyl, N-(N-methylpiperidinyl)
piperazinyl, N-(N-ethylpiperidinyl) piperazinyl, N-(N-acetylpiperidinyl) piperazinyl;
6) morpholinyl, 3,5-dimethyl morpholinyl, thiomorpholinyl, tetrahydropyrrolyl, 3-N, N-dimethyl-
tetrahydropyrrolyl, 3-N, N-diethyl tetrahydropyrrolyl.
In some embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano, C1-C6 alkyl,
optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl, which is optionally substituted
by halogen, nitro, amino, cyano.
In some preferred embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano, C1-C6
alkyl.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some embodiments, n8 is selected from 0,1.
In some preferred embodiments, n8 is 0.
In some embodiments, the pharmaceutically acceptable salt is an inorganic or organic acid salts,
wherein the inorganic salt is a hydrochloride, hydrobromide, hydroiodide, nitrate, bicarbonate, and salts
of carbonates, sulfates or phosphates, the organic acid salt is a formate, acetate, propionate, benzoate,
maleate, fumarate, succinate, tartrate, citrate, ascorbate, alpha-ketoglutarate, alpha-glycerophosphate,
alkyl sulfonate or aryl sulfonate; preferably, the alkyl sulfonate is methylsulfonate or ethylsulfonate;
arylsulfonates as the benzylsulfonate or p-toluenylsulfonate.
A tenth aspect, the present invention provides a compound represented by the following structural
formula:
n9 is selected from 0, 1, 2 or 3;
R is selected from:
1) hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-C7 cycloalkyl,
which is optionally substituted by halogen, nitro, amino, cyano; a C1-C6 oxygen-containing alkyl;
2)-SO C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -SO C2-C6 alkenyl, which is
optionally substituted with halogen, nitro, amino, cyano substituted; -COC1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; -COC2-C6 alkenyl, which is optionally substituted by
halogen, nitro, amino, cyano;
R is selected from:
1) a hydrogen, halo, nitro, amino, cyano;
2) C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; a C1-C6 oxygen-containing alkyl;
3) methylthio, ethylthio, isopropylthio, methylsulfinyl, ethyl sulfinyl, propyl sulfinyl, methylsulfonyl,
ethylsulfonyl, isopropylsulfonyl, amino sulfonyl, ethylamino sulfonyl, propylamino sulfonyl,
isopropylamino sulfonyl, cyclopropylamino sulfonyl, hydroxyl formyl, methoxyl formyl, ethoxyl formyl,
propoxyl formyl, isopropoxyl formyl, n-butoxyl formyl, isobutoxyl formyl, t-butoxyl formyl, amino
formyl, methylaminoformyl, ethylamino formyl, propylamino formyl, isopropylamino formyl,
cyclopropylamino formyl, cyclobutylamino formyl, cyclopentylamino formyl, acetamido, propionamido,
n-butyl amido, isobutyl amido, cyclopropyl formamido, cyclobutyl formamido, cyclopentyl formamido,
methylsulfonamido, ethylsulfonamido, propylsulfonamido, isopropylsulfonamido, dimethyl phosphinyl,
diethyl phosphinyl, diisopropyl phosphinyl;
R is selected from: hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-
C7 cycloalkyl, which is optionally substituted with halogen, nitro, amino, cyano;
Or a stereoisomer of the above compounds, a prodrug thereof, a pharmaceutically acceptable salt thereof,
or a pharmaceutically acceptable solvate thereof.
In some embodiments, R is selected from hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl; -SO C1-C6 alkyl;
19 2
-SO C2-C6 alkenyl group; -COC1-C6 alkyl, which is optionally substituted by halogen, nitro, amino,
cyano; -COC2-C6 alkenyl, which is optionally substituted by halogen, nitro, amino, cyano.
In some preferred embodiments, R is selected from methyl, ethyl, isopropyl, cyclopropyl;
methylsulfonyl, ethylsulfonyl, isopropylsulfonyl, vinylsulfonyl; acetyl, chloroacetyl, bromoacetyl,
acryloyl, 4-N, N-dimethylaminobutenoyl, 4-tetrahydro-pyrrolylbutenoyl.
In some embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano, C1-C6 alkyl.
In some preferred embodiments, R is selected from: hydrogen, fluorine, chlorine, bromine,
nitro, amino, cyano, methyl.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some embodiments, n9 is selected from 0,1,2.
In some preferred embodiments, n9 is selected from 0,1.
In some embodiments, the pharmaceutically acceptable salt is an inorganic or organic acid salts,
wherein the inorganic salt is a hydrochloride, hydrobromide, hydroiodide, nitrate, bicarbonate, and salts
of carbonates, sulfates or phosphates, the organic acid salt is a formate, acetate, propionate, benzoate,
maleate, fumarate, succinate, tartrate, citrate, ascorbate, alpha-ketoglutarate, alpha-glycerophosphate,
alkyl sulfonate or aryl sulfonate; preferably, the alkyl sulfonate is methylsulfonate or ethylsulfonate;
arylsulfonates as the benzylsulfonate or p-toluenylsulfonate.
An eleventh aspect, the present invention provides a compound represented by the following
structural formula:
n0 is selected from 0, 1, 2 or 3;
R is selected from:
1) selected from the group of five-membered heterocyclic or six-membered heterocyclic rings comprising
one or more heteroatoms selected from N, O and S, the five-membered heterocyclic or six-membered
heterocyclic rings are optionally substituted with C1-C6 alkyl, C1-C6 alkoxy, hydroxy, amino,
alkylamino, dialkylamino, C1-C6 acyl, cyano, optionally substituted C1-C6 alkyl, -O-C1-C6 alkyl,
hydroxy, hydroxy C1-C6 alkyl, C1-C6 acyl, alkylamino, dialkylamino substituted heterocyclic group,
including but not limited to: 4-N, N-dimethylamino-piperidinyl, 4-N, N-diethylamino-piperidinyl, 4-N,
N-diisopropylamino-piperidinyl, 4-hydroxyl-piperidinyl, 4-(N-methylpiperazinyl) piperidinyl, 4-(N-ethyl-
piperazinyl) piperidinyl, 4-(N-isopropyl-piperazinyl) piperidinyl, 4-(N-acetyl-piperazinyl) piperidinyl, 4-
(N-tert-butoxyl formyl-piperazinyl) piperidinyl, 4-(N-methylsulfonyl-piperazinyl) piperidinyl, 4-(N-(2-
hydroxylethyl) piperazinyl) piperidinyl, 4-(N-(2-cyanoethyl) piperazinyl) piperidinyl, 4-(N-(3-hydroxyl
propyl) piperazinyl) piperidinyl, 4-(N-(2-N, N-dimethyl-ethyl) piperazinyl) piperidinyl, 4-(N-(2-N, N-
diethyl-ethyl) piperazinyl) piperidinyl, 4-(N-(3-N, N-dimethyl-propyl) piperazinyl) piperidinyl, 4-(N-(3-
N, N-diethyl-propyl) piperazinyl) piperidinyl, 4-(tetrahydropyrrolyl) piperidinyl, 4-(3-N, N-dimethyl-
tetrahydropyrrolyl) piperidinyl;
2) amino, cyclopropylamino, cyclobutylamino, cyclopentylamino, cyclohexylamino, N, N-
dimethylamino, N, N-diethylamino, N, N-diisopropylamino, 2-N, N-dimethylaminoethyl, 2-
hydroxylethylamino, 2-morpholinyl-ethylamino, 2-(4-N-methylpiperazinyl) ethylamino, 3-N, N-
dimethylaminopropyl amino, 3-N, N-diethylaminopropyl amino, 3-N, N-diisopropylamino-propyl amino,
3-hydroxylpropyl amino, 3-morpholinyl-propylamino, 3-(4-N-methylpiperazinyl) propylamino, N-
methyl-piperidinylamino, N-ethylpiperidinylamino, N-isopropyl piperidinylamino, N-
acetylpiperidinylamino; N-methyl-piperazinyl, N-ethyl-piperazinyl, N-isopropyl-piperazinyl, N-acetyl
piperazinyl, N-tert-butoxyl formyl-piperazinyl, N-methylsulfonyl-piperazinyl, N-(2-hydroxylethyl)
piperazinyl, N-(2-cyanoethyl) piperazinyl, N-(3-hydroxylpropyl) piperazinyl, N-(2-N, N-dimethylethyl)
piperazinyl, N-(2-N, N-diethyl aminoethyl) piperazinyl, N-(3-N, N-dimethyl-propyl) piperazinyl, N-(3-N,
N-diethyl-propyl) piperazinyl, 2-oxo-piperazinyl, N-(N-methylpiperidinyl) piperazinyl, N-(N-ethyl-
4-piperidinyl) piperazinyl, N-(N-acetylpiperidinyl) piperazinyl; morpholinyl, 3,5-dimethyl
morpholinyl, thiomorpholinyl, tetrahydropyrrolyl, 3-N, N-dimethyl-tetrahydropyrrolyl, 3-N, N-diethyl-
tetrahydropyrrolyl;
3) C1-C6 alkyl, optionally substituted by halogen, nitro, cyano;
4) C3-C7 cycloalkyl, which is optionally substituted by halogen, nitro, cyano;
)-O-C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano;
6)-O-C3-C7 cycloalkyl, which is optionally substituted by halogen, nitro, amino, cyano;
7) C6-C10 aryl group, which is optionally substituted by halogen, nitro, amino, cyano; -O-C6-C10 aryl,
which is optionally substituted by halogen, nitro, amino, cyano;
8) C2-C6 alkenyl group;
9) hydroxyl, 2-N, N-dimethylaminoethoxyl, 2-N, N-diethyl-aminoethoxyl, 2-N, N-diisopropyl-
aminoethoxyl, 2-( N-methylpiperazinyl) ethoxyl, 2-(N-acetyl-piperazinyl) ethoxyl, 2-morpholinyl-
ethoxyl, 2-thiomorpholinyl ethoxyl, 2-piperidinyl-ethoxyl, 3-N, N-dimethylamino-propoxyl, 3-N, N-
diethylamino-propoxyl, 3-N, N-diisopropylamino propoxyl, 3-(N-methylpiperazinyl) propoxyl, 3-(N-
acetyl-piperazinyl) propoxyl, 3-morpholinyl-propoxyl, 3-thiomorpholinyl propoxyl, 3-piperidinyl-
propoxyl, 2-pyridyl methoxyl, 3-pyridyl-methoxyl, 4-pyridyl methoxyl, phenylmethoxyl, monohalogen-
substituted phenylmethoxyl, homodihalogen-substituted phenyl methoxyl, heterodihalo-substituted
phenylmethoxyl;
R is selected from:
1) a hydrogen, halo, nitro, amino, cyano;
2) C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; -O-C1-C6 alkyl, optionally
substituted by halogen, nitro, amino, cyano; a C1-C6 oxygen-containing alkyl;
3) methylthio, ethylthio, isopropylthio, methylsulfinyl, ethyl sulfinyl, propyl sulfinyl, methylsulfonyl,
ethylsulfonyl, isopropylsulfonyl, amino sulfonyl, ethylamino sulfonyl, propylamino sulfonyl,
isopropylamino-sulfonyl, cyclopropylamino sulfonyl, hydroxyl formyl, methoxyl formyl, ethoxyl formyl,
propoxyl formyl, isopropoxyl formyl, n-butoxyl formyl, isobutoxyl formyl, t-butoxyl formyl, amino
formyl, methylamino formyl, ethylamino formyl, propylamino formyl, isopropylamino formyl,
cyclopropylamino formyl, cyclobutylamino formyl, cyclopentylamino formyl, acetamido, propionamido,
n-butyl amido, isobutyl amido, cyclopropyl formamido, cyclobutyl formamido, cyclopentyl formamido,
methylsulfonamido, ethylsulfonamido, propylsulfonamido, isopropylsulfonamido, dimethyl phosphinyl,
diethyl phosphinyl, diisopropyl phosphinyl;
R is selected from: hydrogen; C1-C6 alkyl, optionally substituted by halogen, nitro, amino, cyano; C3-
C7 cycloalkyl, which is optionally substituted with halogen, nitro, amino, cyano;
Or a stereoisomer of the above compounds, a prodrug thereof, a pharmaceutically acceptable salt thereof,
or a pharmaceutically acceptable solvate thereof.
In some embodiments, R is selected from-SO C1-C6 alkyl, optionally substituted by halogen,
2
nitro, amino, cyano; -SO NH
2 2.
In some preferred embodiments, R is -SO NH
2 2.
In some embodiments, R is selected from: hydrogen, halo, nitro, amino, cyano, C1-C6 alkyl.
In some preferred embodiments, R is selected from: hydrogen, fluorine, chlorine, bromine,
nitro, amino, cyano, methyl.
In some embodiments, R is selected from: hydrogen; C1-C6 alkyl; C3-C7 cycloalkyl.
In some embodiments, n0 is selected from 0,1,2.
In some preferred embodiments, n0 is selected from 0,1.
In some embodiments, the pharmaceutically acceptable salt is an inorganic or organic acid salts,
wherein the inorganic salt is a hydrochloride, hydrobromide, hydroiodide, nitrate, bicarbonate, and salts
of carbonates, sulfates or phosphates, the organic acid salt is a formate, acetate, propionate, benzoate,
maleate, fumarate, succinate, tartrate, citrate, ascorbate, alpha-ketoglutarate, alpha-glycerophosphate,
alkyl sulfonate or aryl sulfonate; preferably, the alkyl sulfonate is methylsulfonate or ethylsulfonate;
arylsulfonates as the benzylsulfonate or p-toluenylsulfonate.
Unless otherwise stated, the above groups and substituents have the ordinary meaning in the field
of medicinal chemistry.
Incidentally, the oxygen-containing C1-C6 alkyl refers to the backbone of C1-C6 alkyl being
substituted with one or more C1-C6 alkoxy group such as methoxyl ethyl, methoxyl ethoxyl methyl and
the like.
The term "a C6-10 aryl" refers to mono-, di-or more carbocyclic hydrocarbon that has optionally
further fused or linked to each other through a single bond to form 1-2 ring system, said carbocyclic ring
comprises at least one "aromatic", wherein the term "aromatic" refers to an electronic key system π-
completely conjugated. Aryl ring may be optionally further fused or linked to the carbocyclic and
heterocyclic aromatic and non-aromatic rings. Non-limiting examples of the aryl group are phenyl, α-or
β-naphthyl.
The term "heteroaryl" refers to an aromatic heterocycle, typically a 5-to 8-membered heterocyclic
ring having from 1 to 3 heteroatoms selected from N, O or S; heteroaryl ring may optionally be further
fused or linked to the carbocyclic and heterocyclic aromatic and non-aromatic. Non-limiting examples of
the heteroaryl group, for example, pyridyl, pyrazinyl, pyrimidinyl, pyridazinyl, indolyl, imidazolyl,
thiazolyl, isothiazolyl, thiazolyl, oxazolyl, pyrrolyl, phenyl group-pyrrolyl, furanyl, phenyl-furanyl,
oxazolyl, isoxazolyl, pyrazolyl, thienyl, benzothienyl, iso indolinyl, benzimidazolyl, indazolyl,
quinolinyl, isoquinolinyl, 1,2,3-triazolyl, 1-phenyl-1,2,3-triazole, 2,3-dihydro-indolyl, 2,3-hydrogen
benzofuranyl, 2,3-dihydro-benzothienyl, benzopyranyl, 2,3-dihydro-benzoxazin-yl, 2,3-dihydro-
quinoxalinyl and the like.
The term "heterocyclyl" (also referred to as "heterocycloalkyl") refers to a 3-, 4-, 5-, 6-and 7-
membered saturated or partially unsaturated carbocyclic ring, wherein one or more carbon atoms are
replaced by the heteroatoms such as nitrogen, oxygen and sulfur. Non-limiting examples of heterocyclyl
groups are, for example pyran, pyrrolidine, pyrroline, imidazoline, imidazolidine, pyrazolidine,
pyrazoline, thiazoline, thiazolidine, dihydrofuran, tetrahydrofuran, 1,3-dioxolane, piperidine, piperazine,
morpholine, morpholine group, a pyrrolidine group, thiomorpholinyl group and the like.
The term "C -C alkyl" refers to any straight or branched chain groups containing 1 to 6 carbon
atoms, e.g., methyl, ethyl, n-propyl, isopropyl, n-butyl, isobutyl, tert-butyl, sec-butyl, n-pentyl, tert-
pentyl, n-hexyl and the like.
Unless otherwise provided, the term "C -C cycloalkyl" refers to a 3-to 7-membered whole-
carbon monocyclic ring, which may contain one or more double bonds, but does not have a completely
conjugated π-electronic system. Examples of cycloalkyl groups are, but are not limited to, cyclopropane,
cyclobutane, cyclopentane, cyclopentene, cyclohexane, cyclohexene, cyclohexadiene, cycloheptane,
cycloheptene, cycloheptadiene.
The term "C -C alkenyl" refers to any group with 2 to 6 carbon atoms and containing a straight
chain or branched chain and at least one alkenyl group such as vinyl, allyl, 1-propenyl group, isopropenyl,
1-butenyl, 2-butenyl, 3-butenyl, 2-pentenyl, 1-hexenyl and the like.
The term "C -C alkynyl group" refers group with 2 to 6 carbon atoms and containing a straight
chain or branched chain and at least one alkynyl group, for example ethynyl, 2-propynyl, 4-alkynyl group
and the like.
The term "C -C acyl" refers to a -C (= O)-H and -C (= O)-C1-C5 alkyl groups, such as formyl,
acetyl, propionyl, butyryl and the like.
Wherein the term "C -C alkyl" refers to any straight or branched chain group containing 1-5
carbon atoms, e.g., methyl, ethyl, n-propyl, isopropyl, n-butyl, isobutyl, tert-butyl, sec-butyl, n-pentyl,
tert-pentyl and the like.
According to the present invention and unless otherwise provided, any of the above groups may
be optionally substituted at any of its free positions with one or more substituent groups, for example
substituted by 1-6 groups, independently selected from the group: a halogen atom, nitro, oxo (=O), cyano,
C -C alkyl, polyfluorinated alkyl, polyfluorinated alkoxy, alkenyl, alkynyl, hydroxyalkyl, hydroxyalkyl
an amino group, a hydroxyl heterocyclic group, an aryl group, aryl-alkyl, heteroaryl, heteroaryl-alkyl,
heterocyclyl, heterocyclyl-alkyl, C -C cycloalkyl, cycloalkyl-alkyl, alkyl-aryl, alkyl-heteroaryl, alkyl-
heterocyclyl, alkyl-cycloalkyl, alkyl-aryl-alkyl, alkyl-heteroaryl-alkyl, alkyl-heterocyclyl-alkyl, alkyl-
cycloalkyl-alkyl, alkyl-heterocyclyl-heterocyclyl, heterocyclyl-heterocyclyl, heterocyclyl-alkyl-
heterocyclyl, heterocyclyl-alkylamino, alkyl-heterocyclyl-alkyl-amino, hydroxyl, alkoxyl, aryloxyl,
heterocyclic oxyl group, alkyl-heterocyclyloxyl, methylenedioxyl, alkylcarbonyloxyl, arylcarbonyloxyl,
cycloalkenyloxyl, heterocyclic carbonyloxyl, alkylene alkylamino oxyl, carboxyl, alkoxycarbonyl,
aryloxycarbonyl, cycloalkyl, carbonyl, heterocyclic oxycarbonyl, amino, ureido, alkylamino, amino-
alkylamino, di-alkylamino, dialkylamino-heterocyclyl, di-alkylamino-alkylamino, arylamino, arylalkyl,
diarylamino, heterocyclic, alkyl-heterocyclyl amino, alkyl-heterocyclylcarbonyl, formylamino,
alkylcarbonylamino, arylcarbonyl, heterocyclic carbonyl, alkyl-eterocyclyl carbonyl amino,
aminocarbonyl, alkylaminocarbonyl, dialkylaminocarbonyl, aryl aminocarbonyl, heteroaryl cyclic
aminocarbonyl, alkoxycarbonyl, alkoxycarbonyl-alkylamino, alkoxycarbonyl heterocyclyl-alkylamino,
alkoxy-aryl-alkyl, hydroxy amino-carbonyl, alkoxy imino, alkylsulfonylamino, arylsulfonylamino,
heterocyclic sulfonylamino, formyl, alkylcarbonyl, arylcarbonyl, cycloalkylcarbonyl,
heterocyclylcarbonyl, alkylsulfonyl, aryl sulfonyl, aminosulfonyl, alkylaminosulfonyl,
dialkylaminosulfonyl, aminosulfonyl, heterocyclic aminosulfonyl, arylthio, alkylthio, phosphonate and
alkylphosphonate.
Furthermore, if appropriate, each of the above substituents may be further substituted by one or
more of the above mentioned groups.
In this regard, the term "halogen atom" refers to fluorine, chlorine, bromine or iodine atom.
The term "cyano" means a-CN residue.
The term "nitro" means a-NO group.
The term "alkoxy", "cycloalkyl group", "aryl group", "heterocyclic group" and its derivatives
refer to any of the above C -C alkyl, C -C a cycloalkyl group, an aryl group or a heterocyclic group,
1 6 3 7
which is connected to the rest of the molecule through an oxygen atom (-O-).
From all of the above description, it will be apparent to the skilled person that the name is any
group of composite such as "aryl group", which is referred to the moiety conventionally derived
therefrom such as substituted from an aryl group, wherein aryl is as defined above.
Likewise, any terms such as alkylthio, alkylamino, dialkylamino, alkoxycarbonyl group, an
alkoxycarbonyl group, a heterocyclic carbonyl group, a heterocyclic carbonyl group, oxycarbonyl group
and the like cycloalkyl groups include, wherein the alkyl, alkoxy, aryl, C -C cycloalkyl and heterocyclyl
portions are as defined above.
As used herein, unless otherwise indicated, the term "prodrug" refers to a derivative can be
hydrolyzed, oxidized, or otherwise reacted under biological conditions (in vitro or in vivo) to provide the
compound of the present invention. Only after the reaction under biological conditions the prodrug
becomes active compounds, or they are active in the form of their non-reaction. well-known methods may
generally be used to prepare prodrugs, e.g. the methods described in Burger's Medicinal Chemistry and
Drug Discovery (1995) 172-178,949-982 (Manfred E.Wolff ed., 5th ed).
As used herein, examples of the term "pharmaceutically acceptable salts of the compounds
Formula (I)" are organic acid salts formed by forming a pharmaceutically acceptable organic acid anions,
including but not limited to formate, acetate, propionate, benzoate, maleate, fumarate, succinate, tartrate,
citrate, ascorbate, alpha-ketoglutarate, alpha-glycerophosphate, alkyl sulfonate or aryl sulfonate;
preferably, the alkyl sulfonate is a methylsulfonate or ethylsulfonate; arylsulfonates as the
benzylsulfonate or p-toluene sulfonate. Suitable inorganic salts may also be formed, including but not
limited to, hydrochloride, hydrobromide, hydroiodide, nitrate, bicarbonate and carbonate, sulfate or
phosphate and the like.
Pharmaceutically acceptable salts using standard procedures known in the art to obtain, for
example, by adding a sufficient amount of the basic compound and to provide a pharmaceutically
acceptable anion of a suitable acid.
As used herein, the term "treating" generally refers to obtaining desired pharmacological and / or
physiological effect. The effect of the completely or partially preventing a disease or symptom thereof,
may be prophylactic; and / or partial or complete stabilization or cure for a disease and / or disease
produced side effects, may be therapeutic. As used herein, "treatment" encompasses any treatment of a
disease in a patient, comprising: (a) preventing the disease or condition susceptible but not yet diagnosed
the disease or symptoms of the disease occurred; (b) inhibiting the disease symptom, ie, arresting its
development; or (c) to alleviate symptoms of the disease, that is, causing the symptoms of the disease or
degeneration.
According to one particular aspect of the present invention, a compound, a stereoisomer, a
prodrug, or a pharmaceutically acceptable salt or a pharmaceutically acceptable solvate thereof, wherein
the compound is the following Examples in one of the compounds.
Another aspect, the present invention provides a pharmaceutical composition comprising a
compound according to any preceding aspect, a stereoisomer, a prodrug, or a pharmaceutically acceptable
salt or a pharmaceutically acceptable solvate thereof, and a pharmaceutically acceptable carrier, diluent or
excipient.
The method of preparing pharmaceutical compositions having a certain amount of the various
active ingredients is known, or apparent to the skilled person in accordance with the present disclosure.
For example, Remington's Pharmaceutical Sciences, Martin, EW, ed., Mack Publishing Company, 19th
ed. (1995), the method of preparing the pharmaceutical composition comprising addition of a suitable
pharmaceutical excipient incorporated, carriers, diluents and the like.
The known method of manufacturing pharmaceutical formulations of the present invention
includes conventional mixing, dissolving or lyophilizing processes. Compounds of the invention may be
formulated into pharmaceutical compositions, and patients with various routes of administration suitable
for the selected mode of administration, e.g., oral or parenteral (by intravenous, intramuscular, topical or
subcutaneous routes).
Accordingly, the compounds of the present invention bounded with acceptable carrier (such as an
inert diluent or an assimilable edible carrier) may be pharmaceutically administered to any part of the
body, e.g., orally. They may be enclosed in hard or soft shell gelatin capsules, may be pressed into tablets.
For oral therapeutic administration, the active compound may be combined with one or more excipients
and used in swallowable tablet, buccal tablet, troches, capsules, elixirs, suspensions, syrups, wafers, and
the like use. Such compositions and preparations should contain at least 0.1% of active compound.
Proportion of such compositions and preparations can, of course, change, may comprise from about 1%
by weight of a given unit dosage form to about 99%. In such therapeutically useful compositions, such
that the amount of active compound an effective dosage level will be obtained.
Tablets, troches, pills, capsules and the like may also contain: a binder such as gum tragacanth,
acacia, corn starch or gelatin; excipients, such as dicalcium phosphate; a disintegrating agent such as corn
starch, potato starch, alginic acid and the like; lubricants, such as magnesium stearate; and a sweetening
agent such as sucrose, fructose, lactose or aspartame; or a flavoring agent such as peppermint, oil of
wintergreen, or cherry flavoring. When the dosage unit form is a capsule, in addition to materials of the
above type, it may contain a liquid carrier, such as a vegetable oil or polyethylene glycol. Various other
materials may be present as coatings or modify the physical form of the solid unit dosage form in other
ways. For instance, tablets, pills, or capsules may be coated with gelatin, wax, shellac or sugar-coated. A
syrup or elixir may contain the active compound, sucrose or fructose as a sweetening agent, methyl
paraben or propyl paraben as preservatives, a dye and a flavoring (flavor such as cherry or orange flavor).
Of course, any material used in preparing any unit dosage form should be pharmaceutically acceptable
and substantially non-toxic in the volume application. In addition, the active compound may be
incorporated into sustained-release preparations and sustained release devices.
The active compounds can also be administered intravenously or intraperitoneally by infusion or
by injection. It may be prepared in an aqueous solution of the active compound or a salt thereof,
optionally mixed nontoxic surfactant. It can also be prepared in glycerol, liquid polyethylene glycols,
triacetin oils, and mixtures thereof and a dispersing agent. Under ordinary conditions of storage and use,
these preparations contain a preservative to prevent the growth of microorganisms.
Suitable for injection or infusion dosage forms may comprise a pharmaceutical active ingredient
comprising a solution or dispersion suitable for sterile injectable or infusible formulation of the instant
(optionally encapsulated in liposomes) in sterile aqueous solutions or dispersions or sterile powders. In all
cases, the ultimate dosage form under the conditions of manufacture and storage must be sterile, liquid,
and stable. The liquid carrier can be a solvent or liquid dispersion medium comprising, for example,
vegetable oils, nontoxic glyceryl esters, and suitable mixtures thereof, water, ethanol, polyol (e.g.,
glycerol, propylene glycol, liquid polyethylene glycol, etc.). Proper fluidity can be maintained, for
example, by the formation of liposomes, by the maintenance of the required particle size in the case of
dispersions, or by using surfactants. It may be (e.g., parabens, chlorobutanol, phenol, sorbic acid,
thimerosal, and the like) prevention of the action of microorganisms by various antibacterial and
antifungal agents. In many cases, it is preferable to include isotonic agents, such as sugars, buffers or
sodium chloride. By using the compositions of agents delaying absorption (for example, aluminum
monostearate and gelatin) may produce prolonged absorption of the injectable compositions.
The above various binding the active compound with a suitable solvent required in the required amount of
other ingredients enumerated, and then sterilized by filtration, the preparation of sterile injectable
solutions. In the case of sterile powders for the preparation of sterile injectable solutions, the preferred
methods of preparation are vacuum drying and freeze-drying techniques, which produces a powder of the
active ingredient plus any additional desired previously sterile-filtered solution in the presence of a
component.
Useful solid carriers include finely divided solid (such as talc, clay, microcrystalline cellulose,
silica, alumina, etc.). Useful liquid carriers include water, ethanol or ethylene glycol or water-ethanol /
glycol mixture, compounds of the invention can optionally with the aid of a surfactant effective content
nontoxic dissolved or dispersed therein. Adjuvants may be added (e.g., flavoring) and additional
antimicrobial agents to optimize the properties for a given use.
Thickening agents (such as synthetic polymers, fatty acids, fatty acid salts and esters, fatty
alcohols, modified celluloses or modified mineral materials) and liquid carriers may also be used to form
spreadable pastes, gels, ointments and soap, was used directly on the skin of the user.
The therapeutically required amount of compound or a therapeutically active salt or derivative
thereof depends not only on the particular salt selected but also on the mode of administration, the age
and the nature and state of the disease to be treated, ultimately depends on the attendant physician or
clinician decision.
Above formulations may be presented in unit dosage form, which unit dosage form is a physically
discrete unit containing a unit dose, suitable for administration to humans and other mammalian body.
The unit dosage form can be a capsule or tablet, or a lot of capsules or tablets. According to the particular
treatment involved, the amount of active ingredient in a unit dose may be varied or adjusted from between
about 0.1 to about 1000 milligrams or more.
Also included are various applications of new dosage forms such as liposomes, microspheres and
nanospheres, such as using fine particle dispersion comprising polymeric micelles (polymeric micelles),
nanoemulsion (nanoemulsion), submicron emulsion (submicroemuls micro capsule (microcapsule),
microspheres (microsphere), liposomes (liposomes) and lipid vesicles (niosomes) (also known as non-
ionic surfactant vesicles) in the manufacture of a medicament and the like.
Another aspect, the present invention also provides a method for preparing the compound of any
preceding aspect, comprising the steps of:
In the following synthesis method, symbol Z in the formula R Z or R Z represents a leaving
41 31
group, such as halogen, mesylate, triflate.
Reaction conditions: (a) basic conditions (such as diisopropylethylamine, triethylamine,
potassium carbonate, etc.) or acidic conditions (trifluoroacetic acid, hydrochloric acid, etc.) substitution
reaction; (b) reducing the nitro group and the amide cyclization (e.g., iron / acetic acid, etc.); (c) a basic
condition (e.g., sodium hydroxide, etc.); (d) acidic conditions (trifluoroacetic acid, hydrochloric acid, etc.)
or palladium-catalyzed amination reaction; or
Reaction conditions: (a) basic conditions (such as diisopropylethylamine, triethylamine,
potassium carbonate, etc.) in the substitution reaction; (b) nitro reduction (e.g., iron / acetic acid, etc.); (c)
ester hydrolysis basic conditions (such as lithium hydroxide, etc.); (d) cyclizing the amide condensation
(e.g., 2-(7-azo-benzotriazole)-N, N, N ', N'-tetramethylurea hexafluorophosphate condensing agent, etc.);
(e) a basic condition (e.g., sodium hydroxide, etc.); (f) acidic conditions (trifluoroacetic acid, hydrochloric
acid, etc.) or palladium-catalyzed amination reaction; or
Reaction conditions: (a) basic conditions (such as diisopropylethylamine, triethylamine,
potassium carbonate, etc.) in the substitution reaction; (b) nitro reduction (e.g., iron / acetic acid, etc.); (c)
ester hydrolysis basic conditions (such as lithium hydroxide, etc.); (d) cyclizing the amide condensation
(e.g., 2-(7-azo-benzotriazole)-N, N, N ', N'-tetramethylurea hexafluorophosphate condensing agent, etc.);
(e) a basic condition (e.g., sodium hydroxide, etc.); (f) acidic conditions (trifluoroacetic acid, hydrochloric
acid, etc.) or palladium-catalyzed amination reaction; or
Reaction conditions: (a) a basic condition (e.g., diisopropylethyl amine and the like); (b) nitro
reduction and cyclization reaction of an amide (e.g., iron / acetic acid, etc.); (c) basic conditions (e.g.
sodium hydrogen, etc.); amination reaction (d) acidic conditions (trifluoroacetic acid, hydrochloric acid,
etc.) or palladium catalysis.
Another aspect, the present invention further provides any of the above aspect of the compound, a
stereoisomer, a prodrug, or a pharmaceutically acceptable salt or a pharmaceutically acceptable solvate
thereof and use of the pharmaceutical composition containing the compound of the present invention in
the manufacture medicament for promoting tissue regeneration and repair of organs, to promote stem cell
proliferation and somatic cell dedifferentiation, immunosuppression, preventing or treating a biological
neurological disorders associated diseases and vascular diseases associated with local ischemia.
Preferably, wherein said promoting organ and tissue regeneration, repair and regeneration is regeneration
and repair of liver, regeneration and repair of intestine, repair and regeneration of heart, regeneration and
repair of skin; wherein said prevention or treatment of neurological disorders associated disease is
Alzheimer's disease, multiple sclerosis, Parkinson's disease, stroke.
EXAMPLES
Relates to the following examples, the compounds of the present invention using the methods
described herein or other methods known in the art of synthesis.
General purification and analytical methods
Thin layer chromatography on precoated silica gel plates GF254 (Qingdao Ocean Chemical
Plant). In the medium pressure over silica gel (300-400 mesh, silica gel developed Yantai Chi Huangwu
Reagent Factory) was subjected to column chromatography or column chromatography using silica gel
pre cartridge (ISCO or Welch) by using an ISCO Combiflash Rf200 rapid purification system.
Component by UV light (λ: 254nm) and by iodine vapor development. When necessary, the compound
was prepared by preparative HPLC Waters Symmetry C18 (19x 50mm, 5μm) column or by Waters X
Terra RP 18 (30x 150mm, 5μm) was purified by column, equipped with an 996Waters PDA detector
Waters preparative HPLC 600 and Micromass mod.ZMD single quadrupole mass (electrospray
ionization, positive ion mode). Method 1: Phase A: 0.1% TFA / MeOH 95/5; phase B: MeOH / H 2 O
95/5. Gradient: 10 to 90% B for 8min, 2min maintaining 90% B; flow rate of 20mL / min. Method 2:
Phase A: 0.05% NH 4 OH / MeOH 95/5; phase B: MeOH / H 2 O 95/5. Gradient: 10 to 100% B for 8min,
held 100% B 2min. Flow rate 20mL / min.
The H-NMR spectrum in DMSO-d in CDCl or the Bruker Avance 600 spectrometer via
600MHz operation (for H concerned) recorded. The residual solvent signal used as reference (δ = 2.50
or 7.27ppm). Chemical shifts ([delta]) are reported in parts per million performed (ppm) and coupling
constants (J) in Hz. The following abbreviations are used for splitting of peaks: s = singlet; br.s. = broad
signal; d = double; t = three; m = multiple; dd = both.
Electrospray ionization (ESI) mass spectrum obtained by Finnigan LCQ ion trap.
Unless otherwise stated, all the final compounds were homogeneous (purity not less than 95%),
as determined by high performance liquid chromatography (HPLC). HPLC-UV-MS analysis used to
evaluate the purity of a compound HPLC system SSP4000 (Thermo Separation Products) is performed by
a combination of the ion trap MS apparatus, the HPLC system equipped with an autosampler LC Pal
(CTC Analytics) and a diode array UV6000LP detector (UV detection at 215-400nm). Device control,
data acquisition and processing using Xcalibur 1.2 software (Finnigan). HPLC chromatography is carried
out at room temperature / min flow rate 1mL, using a Waters X Terra RP 18 column (4.6x 50mm;
3.5μm). Mobile phase A was ammonium acetate 5mM buffer solution (using acetic acid to give pH 5.5):
acetonitrile 90:10, and Mobile phase B 5mM ammonium acetate buffer solution (using acetic acid to give
pH 5.5): acetonitrile ten ninety; gradient of 0 to 100% B for 7 min, then hold 100% B for 2 minutes
before re-Ping Heng.
Purification Reagent Reference Purification of Laboratory Chemicals (Perrin, DD, Armarego,
WLFand Perrins Eds, DR; Pergamon Press: Oxford, 1980) for a book. Fraction is 60-90 deg.] C
petroleum ether, ethyl acetate, methanol, methylene chloride were of analytical grade.
In the context of the following examples and embodiments of the present disclosure, the
following abbreviations have the following meanings. If not defined, any terms should have their
generally accepted meanings.
Abbreviations Full names
DMSO Dimethyl sulfoxide
HCl Hydrogen Chloride
MeOH Methol
NaHCO Sodium Bicarbonate
NaOH Sodium Hydroxide
TEA Trifluoroacetate
Specific Embodiments
The following description of the embodiments of the present invention in detail by way of
specific embodiments, but in any case they are not to be construed as limiting the present invention.
These compounds may be prepared using several synthetic routes.
Compounds of general formula I
among them, synthesis of compounds of formula IA is
Preparation of Compound 2
Compound 1 (4g, 26.5mmol), sodium hydroxide (1.4g, 34.5mmol) was dissolved in 20mL of N,
N-dimethylformamide was stirred at room temperature for 5min, the system again iodomethane (1.65 mL,
26.5mmol), stirred at room temperature 1h, and finally placed in a preheated oil bath to 50 deg. C and
heated with stirring to complete the reaction of compound 1 (LC-MS and TLC track). The reaction was
stopped, cooled to room temperature, the system was poured into a separatory funnel, ethyl acetate and
water (1: 1) fraction was extracted several times with ethyl acetate layer was washed with water, then
brine, and finally dried over anhydrous sodium sulfate, and concentrated silica gel column
chromatography (petroleum ether / ethyl acetate = 98/2) to give compound 2 (oily liquid, 2.4 g of, 57.0%
yield), it was used directly in the next reaction. MS (ESI) m / z: 291 [M + H] +.
Preparation of Compound 3
Compound 2 (2.4g, 14.5mmol), 2,4-dichloronitropyrimidine (2.8g, 14.5mmol) was dissolved
in 30mL 1,4-dioxane, was added N, N-two the reaction was stirred diisopropylethylamine (4.8mL,
29.0mmol), the resulting system is placed in a preheated oil bath to 50 deg. C, the reaction was complete
to compound 2 (LC-MS and TLC track). The reaction was stopped, rotary evaporation, and concentrated
by silica gel column chromatography (petroleum ether / ethyl acetate = 10/1) to give compound 3 (3.9g,
yield 84.3%).
1 H NMR (600MHz, Methanol-d 4) δ8.54 (s, 1H), 8.02 (dd, J = 7.8,1.6Hz, 1H), 7.66 (t, J = 6Hz,
1H), 7.49 (t, J = 6Hz, 1H), 7.38 (dd, J = 7.9,1.2Hz, 1H), 3.79 (s, 3H), 3.55 (s, 3H).MS (ESI) m / z: 323 [m
+ H] +
Preparation of Compound 4
Compound 3 (3.7g, 11.6mmol) was dissolved in 30mL of acetic acid, was added iron powder
(6.5g, 116mmol), the system was placed under the reaction was heated with stirring to 55 ℃ had been
preheated oil bath overnight (LC-MS and TLC detecting completion of the reaction), the reaction is
stopped, the system was poured into ice water, and the precipitated solid was filtered with a Buchner
funnel, the filter cake was washed several times with ice water and acetic acid salts, drained and finally
the solid was collected to give compound 4 (1.5g, 49.6% yield).
1 H NMR (600MHz, DMSO-d 6) δ10.46 (s, 1H), 8.15 (s, 1H), 7.73 (dd, J = 7.8,1.8Hz, 1H), 7.59 (ddd, J =
8.9,7.2, 1.8Hz, 1H), 7.28 (dd, J = 8.3,1.0Hz, 1H), 7.22 (td, J = 7.5,1.0Hz, 1H), 3.35 (s, 3H).MS (ESI) m /
z: 261 [M H] +
Preparation of Compound IA
Method A:
Compound 4 (26mg, 0.1mmol) and aromatic amines (0.1 mmol) was dissolved in 1mL sec-
butanol, was added a 4N HCl solution (50μL, 0.2mmol), and finally placed in a closed system has been
preheated to 110 deg.] C oil bath heated with stirring until the reaction was complete (LC-MS and TLC
monitoring). The reaction was stopped, the reaction solution was transferred to a centrifuge tube 2mL of
adding a certain amount of petroleum ether, shaking, centrifugation, supernatant liquid was discarded, a
small amount of methanol was added, along with petroleum ether, the above operation is repeated until
the supernatant liquid became clear until the solid was collected, spin-dried and weighed as compound
Method B:
Compound 4 (26mg, 0.1mmol) and aromatic amines (0.1 mmol) was dissolved in 1mL sec-
butanol, was added a 4N HCl solution (50μL, 0.2mmol), and finally placed in a closed system has been
preheated to 110 deg.] C oil bath heated with stirring until the reaction was complete (LC-MS and TLC
monitoring). The reaction was stopped, concentrated and purified by reverse phase preparative HPLC
(containing 0.35% aqueous trifluoroacetic acid and methanol as mobile phase), dried and concentrated in
vacuo to yield compound IA.
Method C:
Compound 4 (26mg, 0.1mmol), aromatic amines (0.1 mmol) was dissolved in 1ml tert-butanol,
was added tris (dibenzylideneacetone) dipalladium (5.5mg, 0.006mmol), 2-dicyclohexyl phosphate 2,4,6-
triisopropyl-biphenyl (4.3mg, 0.009mmol) and potassium carbonate (55.3mg, 0.4mmol), drainage
systems nitrogen and placed in an oil bath preheated to 100 ℃ heated with stirring after 5h the reaction
was stopped. System filtered through a fritted funnel off the solid, the liquid was collected and
concentrated by silica gel column chromatography to obtain compound IA.
Compound IB, IC, ID, IE, IF, IG, IH can be synthesized using similar methods.
The following table 1 lists specific compounds and their properties.
Table 1. Structure and characterization of compound IA-IH
Compound II of the formula
Synthesis of compounds of general formula II
Preparation of Compound 5
A solution of 3-aminothiophene carboxylate (361mg, 2.3mmol), N, N-diisopropylethylamine
(0.76mL, 4.6mmol) was dissolved in 15mL of isopropanol and left under stirring for 4 ℃ 5min, then to
the system were dissolved in 5mL of isopropanol was added dropwise 2,4-dichloronitro-pyrimidine
(582mg, 3mmol), and finally stirring was continued for 1h after the reaction was stopped. System
concentrated silica gel column chromatography, eluted directly to give compound 5 (pale yellow solid,
673 mg, 93% yield) with dichloromethane.
1 H NMR (600MHz, CDCl3) δ9.24 (s, 1H), 8.56 (dd, J = 8.5,1.0Hz, 1H), 8.14 (dd, J = 8.0,1.5Hz, 1H),
7.68 (ddd, J = 8.7,7.5,1.5Hz, 1H), 4.02 (s, 3H). 13 C NMR (150MHz, CDCl3)
δ167.4,163.6,157.6,153.1,137.9,133.7,131.4,125.1,123.5,52.8.MS (ESI) m / z: 315 [m + H] +.
Preparation of Compound 6
Compound 5 (673mg, 2.14mmol) and iron powder (1.2g, 21.4mmol) was dissolved in 30mL of
acetic acid and placed in a stirred reactor preheated to 50 deg. C in an oil bath at 9h, LC-MS and TLC
indicated the reaction was complete. Remove most of the iron powder is then screwed off acetic acid, and
then the system was poured into ice-water, and the precipitated solid was Buchner funnel and the filter
cake was washed with ice-water multiple times, and finally the solid was collected to give Compound 6
(548mg, 90% yield) directly for the next step.
MS (ESI) m / z: 285 [M + H] +.
Preparation of Compound 7
Compound 6 (548mg, 1.9mmol) was dissolved in methanol / tetrahydrofuran (5mL / 5mL)
mixture solution is added a lithium hydroxide monohydrate (798mg, 19.0mmol), stirred at room
temperature for 2h, LC-MS the reaction was complete after the reaction was stopped. To a solution of 6N
system environment in an ice-water bath until a solution of hydrochloric acid system pH = 5, a large
amount of solid precipitated, was filtered using Buchner funnel, the filter cake was washed several times
with ice water, the filter cake was collected to give compound 7 (488mg, yield 95 %), was used directly in
the next step.
MS (ESI) m / z: 271 [M + H] +.
Preparation of Compound 8
Compound 7 (488mg, 1.8mmol), N, N-diisopropylethylamine (0.89mL, 5.4mmol) and 2-(7-azo-
benzotriazole)-N, N, N ', N '-tetramethyluronium hexafluorophosphate (1030mg, 2.7mmol) was dissolved
in 10mL dimethylsulfoxide and stirred overnight. LC-MS the reaction was complete the reaction was
stopped, the ice water was poured into the system, and the precipitated solid was filtered using Buchner
funnel, the filter cake was washed several times with ice water, the filter cake was collected to give
compound 8 (372mg, 82% yield).
1 H NMR (600MHz, DMSO-d 6) δ10.25 (s, 1H), 9.50 (s, 1H), 7.77 (s, 1H), 7.69 (d, J = 5.3Hz, 1H), 6.65
(d, J = 5.3Hz, 1H) 13 C NMR (151MHz, DMSO-d 6) δ162.0,155.3,152.9,148.0,
142.5,135.0,122.2,122.1,114.8.MS (ESI) m / z:. 253 [m + H ]
Preparation of Compound 9
Compound 8 (372mg, 1.5mmol), iodomethane (0.28mL, 4.5mmol) was dissolved in 10mL of
dimethylformamide and left to stir at 0 ℃ 5min, added to the system and then sodium hydride (180 mg of,
60 mass fraction %), the reaction was slowly raised to room temperature with stirring. LC-MS the
reaction was complete the reaction was stopped, the ice water was poured into the system, and the
precipitated solid was filtered using Buchner funnel and the filter cake washed several times with ice
water, the filter cake was collected to give compound 9 (294mg, 70% yield).
1 H NMR (600MHz, DMSO-d 6) δ8.47 (s, 1H), 7.94 (d, J = 5.4Hz, 1H), 7.04 (d, J = 5.4Hz, 1H), 3.38 (s,
3H)., 3.31 (s, 3H) 13 C NMR (151MHz, DMSO-d 6)
δ163.5,153.8,153.5,149.3,133.8,128.2,121.5,119.2,110.0,37.4,37.3.MS (ESI) m / z: 281 [M H] +.
Synthesis of compounds of formula II
Method A:
Compound 9 (28mg, 0.1mmol) and aromatic amines (0.1 mmol) was dissolved in 1mL sec-
butanol, was added a 4N HCl solution (50μL, 0.2mmol), and finally placed in a closed system has been
preheated to 110 deg.] C oil bath heated with stirring until the reaction was complete (LC-MS and TLC
monitoring). The reaction was stopped, the reaction solution was transferred to a centrifuge tube 2mL of
adding a certain amount of petroleum ether, shaking, centrifugation, supernatant liquid was discarded, a
small amount of methanol was added, along with petroleum ether, the above operation is repeated until
the supernatant liquid became clear until the solid was collected, rotary evaporation to dry and be
weighted to get compound II.
Method B:
Compound 9 (28mg, 0.1mmol) and aromatic amines (0.1 mmol) was dissolved in 1mL sec-
butanol, was added a 4N HCl solution (50μL, 0.2mmol), and finally placed in a closed system has been
preheated to 110 deg.] C oil bath heated with stirring until the reaction was complete (LC-MS and TLC
monitoring). The reaction was stopped, concentrated and purified by reverse phase preparative HPLC
(containing 0.35% aqueous trifluoroacetic acid and methanol as mobile phase), dried and concentrated in
vacuo to produce compound II.
Method C:
Compound 9 (28mg, 0.1mmol), aromatic amines (0.1 mmol) was dissolved in 1ml tert-butanol,
was added tris (dibenzylideneacetone) dipalladium (5.5mg, 0.006mmol), 2-dicyclohexyl phosphate 2,4,6-
triisopropyl-biphenyl (4.3mg, 0.009mmol) and potassium carbonate (55.3mg, 0.4mmol), drainage
systems nitrogen and placed in an oil bath preheated to 100 ℃ heated with stirring after 5h the reaction
was stopped. System filtered through a fritted funnel off the solid, the liquid was collected and
concentrated by silica gel column chromatography to obtain compound II.
Series III derivatives compounds II may be synthesized with reference series.
Table 2. Structure and characterization of compounds II and III
The compounds of formula IV
Synthesis of compounds of formula IV
Preparation of Compound 11
The starting material 10 (1.17g, 6.6mmol), N, N-diisopropylethylamine (3.37mL, 19.8mmol) was
dissolved in 30mL of isopropanol, after stirring at room temperature was added uniformly dissolved in
5mL 2 isopropanol, 4-dichloronitropyrimidine (1.94g, 10.0mmol), and finally transferred to a stirred
reaction system was preheated oil bath to 50 deg. C, LC-MS and TLC until the reaction was complete
after the reaction was stopped.
Concentrated by silica gel column chromatography to give compound 11 (1.71g, yield 77.4%).
1 H NMR (600MHz, Chloroform-d) δ8.98 (s, 1H), 7.73 (dd, J = 7.8,1.1Hz, 1H), 7.47 (dd, J = 7.4,1.2Hz,
1H), 7.24 (t, J = 7.6Hz, 1H), 3.96 (s, 2H), 3.76 (s, 3H), 3.23 (t, J = 7.7Hz, 2H). 13 C NMR (151MHz,
Chloroform-d) δ171.1,166.5,160.7, 157.1,154.2,140.1,134.8,128.6,128.4,125.5,122.4,54.7,52.1,29.5.MS
(ESI) m / z: 335 [m + H] +.
Preparation of Compound 12
Compound 11 (1.71g, 5.1mmol) in acetic acid while stirring, was added iron powder (1.71 g, 30.6
mmol), and then placed in a preheated oil bath to 50 deg. C. The reaction was stirred until LC-MS and
after the reaction was complete by TLC the reaction was stopped. Removal of iron, spin off part of acetic
acid, poured into ice water to precipitate a solid, filtered using a Buchner funnel and the filter cake
washed several times with ice water, and finally collected and dried to give a compound 12 (1.24g, 89%
yield), used for the next step.
MS (ESI) m / z: 273 [M + H] +.
Preparation of Compound 13
Compound 12 (273mg, 1.0mmol), iodomethane (0.093mL, 1.5mmol) was dissolved in dimethyl
formamide, with stirring under ice 5 min, then the system was added to sodium hydride (60mg, 60% mass
fraction), and finally the reaction was stirred raised slowly to room temperature to allow reaction. The
reaction was stopped once the LC-MS and TLC measurement were completed. The reaction product was
sepatated by silica gel column chromatography (petroleum ether / ethyl acetate = 20/1) to give Compound
13 (137mg, 48% yield).
1 H NMR (600MHz, DMSO-d 6) δ9.50 (s, 1H), 7.85 (d, J = 8.0Hz, 1H), 7.76 (d, J = 7.0Hz, 1H), 7.35 (t, J
= 7.7Hz, 1H), 4.44 (t, J = 8.0Hz, 2H), 3.48 (t, J = 8.1Hz, 2H), 3.34 (s, 3H).MS (ESI) m / z: 287 [m + H]
Preparation of Compound IV
Compound 13 (28.7mg, 0.1mmol), aromatic amines (0.1 mmol) was dissolved in 1ml tert-
butanol, was added tris (dibenzylideneacetone) dipalladium (5.5mg, 0.006mmol), 2-dicyclohexyl
phosphorus-2,4,6-triisopropyl-biphenyl (4.3mg, 0.009mmol) and potassium carbonate (55.3mg,
0.4mmol), nitrogen was drained out, and placed in a preheated oil bath heated to 100 ℃ stirring, the
reaction was stopped after 5h. Product was filtered through a fritted funnel to get rid of solids, the liquid
was collected and concentrated, purified by silica gel column chromatography to give product IV.
Table 3. Structure and Characterization of Compound IV
Test Example
Bioassay:
Inhibition of Mst1/2 kinase activity by compounds
Inhibition of Mst1/2 kinase activity is evaluated by inhibition of phosphorylation level of Mob1
substrate protein by the Mst1/2 kinase as described previously (Cancer Cell, 2009,16, p425-438). We
adopt a specific ELISA (Enzyme-linked immunosorbent assay) assay for measuring the biochemical
activity (.
Specific methods are as follows:
1. The substrate was diluted with purified recombinant GST-Mob1a 200nM in coating buffer, added to
96-well plates (Nalge Nunc International, Denmark), coated for overnight at 4 ℃, washed nextday three
times with rinsing solution;
2. Add 60μL of kinase reaction system, 30 ℃ shaking for 15 min;
Kinase reaction system:
a. A kinase reaction buffer;
b. ATP (6.7 μM for Mst1 kinase reaction, 11.2 μM for Mst2 kinase reaction);
c. compound (dissolved in DMSO, containing not more than 1% of the total volume of the reaction);
d. kinase (recombinant Mst1 11nM or 3.7nM recombinant MST2);
Control group containing no ATP or kinase;
3. The reaction solution was poured to terminate the kinase reaction, and washed 4 times with rinse
solution, 5 minutes each wash;
4. Add 200μL per well of the blocking solution, shaking for 1 hour at room temperature, washed 4 times
with rinsing solution;
. Add anti Mob1 35th threonine phosphorylation primary antibody (Cell Signalling, # 8699) at 1: 1000
dilution in blocking solution, added to 96-well plates for 3 hours at room temperature, rinsed four times;
6. Add 1: 1000 dilution of rabbit HRP conjugated secondary antibody (Jackson ImmunoResearch
Laboratories # 7074), for 30 minutes at room temperature, rinsed four times;
7. Add TMB chromogenic solution (Biolegend, Cat.B200119, B200120). After the color reaction to a
certain extent, add to each well 100μL of 2M H SO to terminate the reaction;
8. Using a plate reader (VARIOSKAN FLASH, Thermo) to measure absorbance of each well at 450nM.
Each set of three parallel experiments, the negative control is a solution with a final concentration of 1%
DMSO, the control is the reaction system containing no ATP. The concentration gradient is 10, 3.33,
1.11, 0.37, 0.123, 0.04, 0.014, 0.004, 0μM. Kinase activity inhibition rate calculated as follows:
Kinase activity inhibition rate% = 1-(OD -OD / (OD -OD * 100%
test group blank group) group negative control group)
9) IC value calculation: IC50 was calculated using GradPad Prism 5 software based on the
measurements of kinase activity inhibition rates.
The reagents are as follows:
Coating Buffer: 0.1M NaHCO 3, 0.033M Na CO , pH 9.5
Rinse solution: 0.05% Tween-20in PBS
Reaction buffer: 40mM of Hepes-NaOH (pH 7.4), 10mM of MgCl 1mM of dithiothreitol (DTT), 1mM
of NaF, 1mM of Na VO 1mM of β-glycerophosphate
3 4,
Blocking solution: 1% BSA dissolved in PBS
Compound inhibition of kinase activity
Compound II-1 is effective in promoting liver regeneration after partial liver resection
8-10 week old wild type mice were anesthetized with intraperitoneal pentobarbital (80mg / kg
body weight). Hepatectomy was performed to remove left rear and intermediate liver lobes, about 2/3 of
the entire liver. Mice were injected intraperitoneally the day of surgery Compound II-1 (1mg / kg body
weight) or solvent control group (20% Kolliphor® HS-15 0.1% aqueous citric acid solution). The mice
received the compound II-1 or control twice daily until the end of the experiment. Mice after hepatectomy
of 1, 2, 3, 4, 5, 6, or 7 days were sacrificed. Mouse body weight and liver weight are recorded and used to
calculate the weight ratio of the liver (). Liver tissue section used in immunohistochemistry to
detect proliferating hepatocytes (of Ki67-positive) percentage.
Compound II-1 is effective in promoting intestinal repair in intestinal injury model induced by dextran
sulfate sodium (Dextran sulfate sodium, DSS)
Compound II-1 promotes intestinal repair in intestinal injury mouse model induced by DSS. 8-10
week old wild type mice were fed with water containing 2.5% DSS (MW 36-50kDa, Cat. # 160110, MP
Biochemical) for 7 days, then switch to conventional drinking water. The mice were divided into two
groups, one group were injected with a compound II-1 (1 mg / kg body weight) once per day, the other
group were injected with the above-described control solvent once per day. Throughout the experiment,
the body weight of mice was weighed every day at a fixed time and calculate the ratio of the weight and
the weight before DSS feeding. Enteritis and other clinical symptoms were observed in mice, including
the integrity of feces and intestinal bleeding, which were sued for calculating disease activity index
(Disease activity index, DAI). The DAI values were calculated as follows: the integrity of the stool (
value 0-3, where 0: full dried fecal pellets; 1: soft particles; 2: loose, wet stool; 3: diarrhea); detection of
intestinal bleeding with tolidine (o-tolidine) (value 0-3, where 0 : detection reagent was added for 2
minutes, sample no color; 1: detection reagent was added, the sample within 10 seconds from light blue to
blue; 2: after adding detection reagents, samples gradually changed from light brown to brown clear blue
and a visible color in the feces; 3: after adding detection reagents, samples rapidly becoming brownish
blue, significant blood and bleeding in a anus and feces. The body weight change in mice and DAI values
were recorded for indicating the degree of intestinal injury repair. Compound II-1 can significantly
increase the DSS-treated mice body weight, slow the intestinal injury clinical symptoms ( a, and
b). At day 8 after DSS water feeding, some of the mice were sacrificed (intraperitoneal injection of BrdU
for detection of cell proliferation two hours before sacrifice), isolated intestinal tissue, for Yap, BrdU and
Ki67 immunohistochemical staining, the compound II-1 increases Yap activity in intestinal epithelial
cells, promote epithelial repair and cell proliferation ( c, d, e).
Applications Claiming Priority (3)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
CN201610121108.5 | 2016-03-04 | ||
CN201610121108 | 2016-03-04 | ||
PCT/CN2017/075416 WO2017148406A1 (en) | 2016-03-04 | 2017-03-02 | Pyrimidine seven-membered-ring compounds, preparation method therefor, pharmaceutical composition thereof, and uses thereof |
Publications (2)
Publication Number | Publication Date |
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NZ744393A NZ744393A (en) | 2021-09-24 |
NZ744393B2 true NZ744393B2 (en) | 2022-01-06 |
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