WO1998056812A3 - Estrogen receptor crystals and ligands - Google Patents

Estrogen receptor crystals and ligands Download PDF

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Publication number
WO1998056812A3
WO1998056812A3 PCT/GB1998/001708 GB9801708W WO9856812A3 WO 1998056812 A3 WO1998056812 A3 WO 1998056812A3 GB 9801708 W GB9801708 W GB 9801708W WO 9856812 A3 WO9856812 A3 WO 9856812A3
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WO
WIPO (PCT)
Prior art keywords
ligands
estrogen receptor
crystals
receptor crystals
ligand
Prior art date
Application number
PCT/GB1998/001708
Other languages
French (fr)
Other versions
WO1998056812A2 (en
Inventor
Lars Oehman
Tomas Bonn
Mats Carlquist
Owe Engstroem
Patrick Goede
Aasa Hedfors
Erik Holmgren
Konrad Koehler
Andrzeji Marek Bzozowski
Ashley Charles William Pike
Roderick Eliot Hubbard
Original Assignee
Karobio Ab
Lars Oehman
Tomas Bonn
Mats Carlquist
Owe Engstroem
Patrick Goede
Aasa Hedfors
Erik Holmgren
Konrad Koehler
Andrzeji Marek Bzozowski
Ashley Charles William Pike
Roderick Eliot Hubbard
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Priority claimed from GBGB9711992.9A external-priority patent/GB9711992D0/en
Priority claimed from GBGB9717346.2A external-priority patent/GB9717346D0/en
Priority claimed from GBGB9803061.2A external-priority patent/GB9803061D0/en
Priority claimed from GBGB9803202.2A external-priority patent/GB9803202D0/en
Application filed by Karobio Ab, Lars Oehman, Tomas Bonn, Mats Carlquist, Owe Engstroem, Patrick Goede, Aasa Hedfors, Erik Holmgren, Konrad Koehler, Andrzeji Marek Bzozowski, Ashley Charles William Pike, Roderick Eliot Hubbard filed Critical Karobio Ab
Priority to EP98928458A priority Critical patent/EP0980386A2/en
Priority to CA002292611A priority patent/CA2292611A1/en
Priority to JP50190699A priority patent/JP2002506433A/en
Priority to AU80289/98A priority patent/AU735703B2/en
Publication of WO1998056812A2 publication Critical patent/WO1998056812A2/en
Publication of WO1998056812A3 publication Critical patent/WO1998056812A3/en

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    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07K—PEPTIDES
    • C07K14/00—Peptides having more than 20 amino acids; Gastrins; Somatostatins; Melanotropins; Derivatives thereof
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07D—HETEROCYCLIC COMPOUNDS
    • C07D333/00—Heterocyclic compounds containing five-membered rings having one sulfur atom as the only ring hetero atom
    • C07D333/50—Heterocyclic compounds containing five-membered rings having one sulfur atom as the only ring hetero atom condensed with carbocyclic rings or ring systems
    • C07D333/52—Benzo[b]thiophenes; Hydrogenated benzo[b]thiophenes
    • C07D333/54—Benzo[b]thiophenes; Hydrogenated benzo[b]thiophenes with only hydrogen atoms, hydrocarbon or substituted hydrocarbon radicals, directly attached to carbon atoms of the hetero ring
    • A—HUMAN NECESSITIES
    • A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
    • A61P—SPECIFIC THERAPEUTIC ACTIVITY OF CHEMICAL COMPOUNDS OR MEDICINAL PREPARATIONS
    • A61P5/00—Drugs for disorders of the endocrine system
    • A61P5/24—Drugs for disorders of the endocrine system of the sex hormones
    • A61P5/30—Oestrogens
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07D—HETEROCYCLIC COMPOUNDS
    • C07D333/00—Heterocyclic compounds containing five-membered rings having one sulfur atom as the only ring hetero atom
    • C07D333/50—Heterocyclic compounds containing five-membered rings having one sulfur atom as the only ring hetero atom condensed with carbocyclic rings or ring systems
    • C07D333/52—Benzo[b]thiophenes; Hydrogenated benzo[b]thiophenes
    • C07D333/54—Benzo[b]thiophenes; Hydrogenated benzo[b]thiophenes with only hydrogen atoms, hydrocarbon or substituted hydrocarbon radicals, directly attached to carbon atoms of the hetero ring
    • C07D333/56—Radicals substituted by oxygen atoms
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07D—HETEROCYCLIC COMPOUNDS
    • C07D333/00—Heterocyclic compounds containing five-membered rings having one sulfur atom as the only ring hetero atom
    • C07D333/50—Heterocyclic compounds containing five-membered rings having one sulfur atom as the only ring hetero atom condensed with carbocyclic rings or ring systems
    • C07D333/52—Benzo[b]thiophenes; Hydrogenated benzo[b]thiophenes
    • C07D333/54—Benzo[b]thiophenes; Hydrogenated benzo[b]thiophenes with only hydrogen atoms, hydrocarbon or substituted hydrocarbon radicals, directly attached to carbon atoms of the hetero ring
    • C07D333/58—Radicals substituted by nitrogen atoms
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07D—HETEROCYCLIC COMPOUNDS
    • C07D409/00—Heterocyclic compounds containing two or more hetero rings, at least one ring having sulfur atoms as the only ring hetero atoms
    • C07D409/02—Heterocyclic compounds containing two or more hetero rings, at least one ring having sulfur atoms as the only ring hetero atoms containing two hetero rings
    • C07D409/04—Heterocyclic compounds containing two or more hetero rings, at least one ring having sulfur atoms as the only ring hetero atoms containing two hetero rings directly linked by a ring-member-to-ring-member bond
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07D—HETEROCYCLIC COMPOUNDS
    • C07D409/00—Heterocyclic compounds containing two or more hetero rings, at least one ring having sulfur atoms as the only ring hetero atoms
    • C07D409/02—Heterocyclic compounds containing two or more hetero rings, at least one ring having sulfur atoms as the only ring hetero atoms containing two hetero rings
    • C07D409/06—Heterocyclic compounds containing two or more hetero rings, at least one ring having sulfur atoms as the only ring hetero atoms containing two hetero rings linked by a carbon chain containing only aliphatic carbon atoms
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07D—HETEROCYCLIC COMPOUNDS
    • C07D417/00—Heterocyclic compounds containing two or more hetero rings, at least one ring having nitrogen and sulfur atoms as the only ring hetero atoms, not provided for by group C07D415/00
    • C07D417/02—Heterocyclic compounds containing two or more hetero rings, at least one ring having nitrogen and sulfur atoms as the only ring hetero atoms, not provided for by group C07D415/00 containing two hetero rings
    • C07D417/04—Heterocyclic compounds containing two or more hetero rings, at least one ring having nitrogen and sulfur atoms as the only ring hetero atoms, not provided for by group C07D415/00 containing two hetero rings directly linked by a ring-member-to-ring-member bond
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07J—STEROIDS
    • C07J41/00—Normal steroids containing one or more nitrogen atoms not belonging to a hetero ring
    • C07J41/0005—Normal steroids containing one or more nitrogen atoms not belonging to a hetero ring the nitrogen atom being directly linked to the cyclopenta(a)hydro phenanthrene skeleton
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07J—STEROIDS
    • C07J41/00—Normal steroids containing one or more nitrogen atoms not belonging to a hetero ring
    • C07J41/0033—Normal steroids containing one or more nitrogen atoms not belonging to a hetero ring not covered by C07J41/0005
    • C07J41/0044—Normal steroids containing one or more nitrogen atoms not belonging to a hetero ring not covered by C07J41/0005 with an estrane or gonane skeleton, including 18-substituted derivatives and derivatives where position 17-beta is substituted by a carbon atom not directly bonded to another carbon atom and not being part of an amide group
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07K—PEPTIDES
    • C07K14/00—Peptides having more than 20 amino acids; Gastrins; Somatostatins; Melanotropins; Derivatives thereof
    • C07K14/435—Peptides having more than 20 amino acids; Gastrins; Somatostatins; Melanotropins; Derivatives thereof from animals; from humans
    • C07K14/705—Receptors; Cell surface antigens; Cell surface determinants
    • C07K14/72—Receptors; Cell surface antigens; Cell surface determinants for hormones
    • C07K14/721—Steroid/thyroid hormone superfamily, e.g. GR, EcR, androgen receptor, oestrogen receptor

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  • Chemical & Material Sciences (AREA)
  • Organic Chemistry (AREA)
  • Health & Medical Sciences (AREA)
  • General Health & Medical Sciences (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Medicinal Chemistry (AREA)
  • Gastroenterology & Hepatology (AREA)
  • Endocrinology (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Molecular Biology (AREA)
  • Genetics & Genomics (AREA)
  • Biophysics (AREA)
  • Biochemistry (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Public Health (AREA)
  • Veterinary Medicine (AREA)
  • Cell Biology (AREA)
  • Immunology (AREA)
  • Toxicology (AREA)
  • Zoology (AREA)
  • Engineering & Computer Science (AREA)
  • Animal Behavior & Ethology (AREA)
  • Nuclear Medicine, Radiotherapy & Molecular Imaging (AREA)
  • Diabetes (AREA)
  • General Chemical & Material Sciences (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • Steroid Compounds (AREA)
  • Pharmaceuticals Containing Other Organic And Inorganic Compounds (AREA)
  • Peptides Or Proteins (AREA)
  • Medicines That Contain Protein Lipid Enzymes And Other Medicines (AREA)

Abstract

Crystal comprising at least part of the ERα ligand binding domain, optionally bound to a ligand, ligands that bind to ER receptors, and methods of designing them, and a homology model of the ERβ receptor.
PCT/GB1998/001708 1997-06-10 1998-06-10 Estrogen receptor crystals and ligands WO1998056812A2 (en)

Priority Applications (4)

Application Number Priority Date Filing Date Title
EP98928458A EP0980386A2 (en) 1997-06-10 1998-06-10 Estrogen receptor crystals and ligands
CA002292611A CA2292611A1 (en) 1997-06-10 1998-06-10 Estrogen receptor ligands
JP50190699A JP2002506433A (en) 1997-06-10 1998-06-10 Estrogen receptor ligand
AU80289/98A AU735703B2 (en) 1997-06-10 1998-06-10 Estrogen receptor ligands

Applications Claiming Priority (8)

Application Number Priority Date Filing Date Title
GBGB9711992.9A GB9711992D0 (en) 1997-06-10 1997-06-10 Estrogen receptor ligands
GB9711992.9 1997-06-10
GBGB9717346.2A GB9717346D0 (en) 1997-08-15 1997-08-15 Estrogen receptor ligands
GB9717346.2 1997-08-15
GB9803061.2 1998-02-13
GBGB9803061.2A GB9803061D0 (en) 1998-02-13 1998-02-13 Estrogen receptor ligands
GBGB9803202.2A GB9803202D0 (en) 1998-02-16 1998-02-16 Estrogen Receptor Ligands
GB9803202.2 1998-02-16

Related Child Applications (3)

Application Number Title Priority Date Filing Date
US09445265 A-371-Of-International 2000-06-23
US10/163,430 Division US20030032779A1 (en) 1997-06-10 2002-06-05 Estrogen receptor ligands
US10/391,156 Continuation US20040093165A1 (en) 1997-06-10 2003-03-18 Estrogen receptor ligands

Publications (2)

Publication Number Publication Date
WO1998056812A2 WO1998056812A2 (en) 1998-12-17
WO1998056812A3 true WO1998056812A3 (en) 1999-04-01

Family

ID=27451660

Family Applications (1)

Application Number Title Priority Date Filing Date
PCT/GB1998/001708 WO1998056812A2 (en) 1997-06-10 1998-06-10 Estrogen receptor crystals and ligands

Country Status (6)

Country Link
EP (1) EP0980386A2 (en)
JP (1) JP2002506433A (en)
KR (1) KR20010013631A (en)
AU (1) AU735703B2 (en)
CA (1) CA2292611A1 (en)
WO (1) WO1998056812A2 (en)

Families Citing this family (10)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2000052050A2 (en) * 1999-03-01 2000-09-08 Karo Bio Ab Homology models of the glucocorticoid receptor
AU3964400A (en) * 1999-04-06 2000-10-23 Akzo Nobel N.V. Selective estrogenic compounds
ES2211540T3 (en) * 1999-04-09 2004-07-16 Karo Bio Ab RECEPTORS OF STROGENS AND BONE.
WO2001027622A1 (en) 1999-10-14 2001-04-19 Bristol-Myers Squibb Company Crystallographic structure of the androgen receptor ligand binding domain
GB2374412A (en) * 2001-04-11 2002-10-16 Karobio Ab Hypertension treatment and assay
US6559177B2 (en) 2001-04-19 2003-05-06 Wyeth 5, 11-Dioxa-benzo[b]fluoren-10-one and 5-oxa-11-thia-benzo[b]fluoren-10-ones as estrogenic agents
EP1470158B1 (en) 2002-01-31 2006-07-12 Centre National De La Recherche Scientifique (Cnrs) The ligand binding pocket peptide fragment of estrogen-related receptor 3 (err3), its crystal structure, and uses thereof
BRPI0606447A (en) * 2005-01-19 2008-03-11 Wyeth Corp estrogen receptor structure
EP2912033A4 (en) 2012-10-24 2016-09-14 Univ Illinois Compositions and methods for treating estrogen-related medical disorders
EP2911660B1 (en) * 2012-10-24 2019-12-04 The Board of Trustees of the University of Illionis Compositions and methods for treating estrogen-related medical disorders

Citations (10)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US3159543A (en) * 1961-04-07 1964-12-01 Vismara Francesco Spa 3-cyclopentyl and cyclopentenyl ethers of estrone and derivatives thereof
US4133814A (en) * 1975-10-28 1979-01-09 Eli Lilly And Company 2-Phenyl-3-aroylbenzothiophenes useful as antifertility agents
US4436748A (en) * 1980-10-20 1984-03-13 Hoechst-Roussel Pharmaceuticals Inc. Benzo[b]thiophenes
EP0367576A2 (en) * 1988-10-31 1990-05-09 Endorecherche Inc. Estrogen nucleus derivatives for use in the inhibition of sex steroid activity
WO1995010513A1 (en) * 1993-10-12 1995-04-20 Pfizer Inc. Benzothiophenes and related compounds as estrogen agonists
US5532382A (en) * 1995-03-13 1996-07-02 Eli Lilly And Company Benzothiophenes substituted at the 3-carbonyl
WO1997009348A2 (en) * 1995-09-08 1997-03-13 Karo Bio Ab Orphan receptor
EP0826683A1 (en) * 1996-08-29 1998-03-04 Eli Lilly And Company Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods
EP0827959A2 (en) * 1996-08-29 1998-03-11 Eli Lilly And Company Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods
EP0835872A1 (en) * 1996-10-10 1998-04-15 Eli Lilly And Company Benzo [b] thiophene compounds, intermediates, formulations, and methods

Patent Citations (10)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US3159543A (en) * 1961-04-07 1964-12-01 Vismara Francesco Spa 3-cyclopentyl and cyclopentenyl ethers of estrone and derivatives thereof
US4133814A (en) * 1975-10-28 1979-01-09 Eli Lilly And Company 2-Phenyl-3-aroylbenzothiophenes useful as antifertility agents
US4436748A (en) * 1980-10-20 1984-03-13 Hoechst-Roussel Pharmaceuticals Inc. Benzo[b]thiophenes
EP0367576A2 (en) * 1988-10-31 1990-05-09 Endorecherche Inc. Estrogen nucleus derivatives for use in the inhibition of sex steroid activity
WO1995010513A1 (en) * 1993-10-12 1995-04-20 Pfizer Inc. Benzothiophenes and related compounds as estrogen agonists
US5532382A (en) * 1995-03-13 1996-07-02 Eli Lilly And Company Benzothiophenes substituted at the 3-carbonyl
WO1997009348A2 (en) * 1995-09-08 1997-03-13 Karo Bio Ab Orphan receptor
EP0826683A1 (en) * 1996-08-29 1998-03-04 Eli Lilly And Company Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods
EP0827959A2 (en) * 1996-08-29 1998-03-11 Eli Lilly And Company Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods
EP0835872A1 (en) * 1996-10-10 1998-04-15 Eli Lilly And Company Benzo [b] thiophene compounds, intermediates, formulations, and methods

Non-Patent Citations (16)

* Cited by examiner, † Cited by third party
Title
ANSTEAD G M ET AL: "The estradiol pharmacophore: Ligand structure-estrogen receptor binding affinity relationships and a model for the receptor binding site", STEROIDS, vol. 62, no. 3, March 1997 (1997-03-01), SAN FRANCISCO US, pages 268 - 303, XP004057108 *
BOURGUET W ET AL.: "Crystal structure of the ligand-binding domain of the human nuclear receptor RXR-alpha", NATURE., vol. 375, 1 July 1995 (1995-07-01), LONDON GB, pages 377 - 382, XP002075905 *
BRZOZOWSKI A. ET AL.: "Molecular basis of agonism and antagonism in the oestrogen receptor", NATURE., vol. 389, 16 October 1997 (1997-10-16), LONDON GB, pages 753 - 758, XP002075907 *
CHARLES D. JONES ET AL.: "Antiestrogens.", JOURNAL OF MEDICINAL CHEMISTRY., vol. 27, no. 8, 1984, WASHINGTON US, pages 1057 - 1066, XP000560343 *
CHEMICAL ABSTRACTS, vol. 116, no. 25, 22 June 1992, Columbus, Ohio, US; abstract no. 248651r, PINNEY, KEVIN G. ET AL.: "Nonsteroidal estrogens bearing acyl azide functions" page 92; column 2; XP002087607 *
CHEMICAL ABSTRACTS, vol. 82, no. 15, 14 April 1975, Columbus, Ohio, US; abstract no. 97908f, IDDON BRIAN ET AL.: "Condensed thiophene ring systems." page 430; column 2; XP002087608 *
DANIELIAN P S ET AL: "IDENTIFICATION OF A CONSERVED REGION REQUIRED FOR HORMONE DEPENDENTTRANSCRIPTIONAL ACTIVATION BY STEROID HORMONE RECEPTORS", EMBO JOURNAL., vol. 11, no. 3, March 1992 (1992-03-01), EYNSHAM, OXFORD GB, pages 1025 - 1033, XP000611428 *
EKENA K ET AL.: "Different residues of the human estrogen receptor are involved in the recognition of structurally diverse estrogens and antiestrogens", JOURNAL OF BIOLOGICAL CHEMISTRY, vol. 272, no. 8, 21 February 1997 (1997-02-21), BALTIMORE US, pages 5069 - 5075, XP002075904 *
EKENA K ET AL.: "Identification of amino acids in the hormone binding domain of the human estrogen receptor important in estrogen binding", JOURNAL OF BIOLOGICAL CHEMISTRY, vol. 271, no. 33, 16 August 1996 (1996-08-16), US, pages 20053 - 20059, XP002075903 *
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GRESE T A ET AL.: "Structure-activity relationships of selective estrogen receptor modulators: modifications to the 2-arylbenzothiophene core of raloxifene", JOURNAL OF MEDICINAL CHEMISTRY., vol. 40, 17 January 1997 (1997-01-17), WASHINGTON US, pages 146 - 167, XP002075906 *
HARRY R. ALLCOCK ET AL.: "Reactions of steroid salts with hexachlorocyclotriphosphazene", JOURNAL OF ORGANIC CHEMISTRY., vol. 46, no. 1, 2 January 1981 (1981-01-02), EASTON US, pages 13 - 22, XP002087606 *
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SEIELSTAD D A ET AL: "ANALYSIS OF THE STRUCTURAL CORE OF THE HUMAN ESTROGEN RECEPTOR LIGAND BINDING DOMAIN BY SELECTIVE PROTEOLYSIS/MASS SPECTROMETRIC ANALYSIS", BIOCHEMISTRY., vol. 34, no. 39, 1995, EASTON, PA US, pages 12605 - 12615, XP002063749 *
STEROIDS, vol. 57, no. 5, 1992, pages 222 - 232 *

Also Published As

Publication number Publication date
EP0980386A2 (en) 2000-02-23
AU735703B2 (en) 2001-07-12
JP2002506433A (en) 2002-02-26
KR20010013631A (en) 2001-02-26
AU8028998A (en) 1998-12-30
WO1998056812A2 (en) 1998-12-17
CA2292611A1 (en) 1998-12-17

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