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Polpharma European CDMO Partner & API Manufacturer since 1951 Polpharma European CDMO Partner & API Manufacturer since 1951

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    Technical details about Vilaprisan, learn more about the structure, uses, toxicity, action, side effects and more

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    Vilaprisan

    DIGITAL CONTENT

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    2D Structure
    1. Also known as: 1262108-14-4, Vilaprisan [inn], Bay1002670, In59k53gi9, Bay-1002670, (8s,11r,13s,14s,17s)-17-hydroxy-13-methyl-11-(4-methylsulfonylphenyl)-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
    Molecular Formula
    C27H29F5O4S
    Molecular Weight
    544.6  g/mol
    InChI Key
    JUFWQQVHQFDUOD-ANRPBIDPSA-N
    FDA UNII
    IN59K53GI9
    Vilaprisan is an orally available progestin and selective progesterone receptor modulator (SPRM), with potential anti-progesterone and antineoplastic activities. Upon oral administration, vilaprisan competitively binds to the progesterone receptor (PR) in progesterone-responsive tissue and inhibits PR-mediated gene expression. This interferes with progesterone activity in the reproductive system and may inhibit PR-mediated proliferative effects in cells overexpressing PRs. As a result, this agent may suppress ovulation and inhibit proliferation of endometrial tissue or uterine fibroid formation.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-methylsulfonylphenyl)-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
    2.1.2 InChI
    InChI=1S/C27H29F5O4S/c1-24-14-21(15-3-7-18(8-4-15)37(2,35)36)23-19-10-6-17(33)13-16(19)5-9-20(23)22(24)11-12-25(24,34)26(28,29)27(30,31)32/h3-4,7-8,13,20-22,34H,5-6,9-12,14H2,1-2H3/t20-,21+,22-,24-,25-/m0/s1
    2.1.3 InChI Key
    JUFWQQVHQFDUOD-ANRPBIDPSA-N
    2.1.4 Canonical SMILES
    CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C(C(F)(F)F)(F)F)O)C5=CC=C(C=C5)S(=O)(=O)C
    2.1.5 Isomeric SMILES
    C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C(C(F)(F)F)(F)F)O)C5=CC=C(C=C5)S(=O)(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    IN59K53GI9
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bay 1002670

    2.3.2 Depositor-Supplied Synonyms

    1. 1262108-14-4

    2. Vilaprisan [inn]

    3. Bay1002670

    4. In59k53gi9

    5. Bay-1002670

    6. (8s,11r,13s,14s,17s)-17-hydroxy-13-methyl-11-(4-methylsulfonylphenyl)-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

    7. 19-norpregna-4,9-dien-3-one, 20,20,21,21,21-pentafluoro-17-hydroxy-11-(4-(methylsulfonyl)phenyl)-, (11beta,17alpha)-

    8. 19-norpregna-4,9-dien-3-one, 20,20,21,21,21-pentafluoro-17-hydroxy-11-[4-(methylsulfonyl)phenyl]-, (11beta,17alpha)-

    9. Unii-in59k53gi9

    10. Bay 1002670

    11. Vilaprisan [jan]

    12. Vilaprisan [usan:inn]

    13. Vilaprisan [usan]

    14. Vilaprisan [who-dd]

    15. Vilaprisan (jan/usan/inn)

    16. Schembl2121854

    17. Chembl3989936

    18. Dtxsid201110777

    19. Bcp24069

    20. Db11971

    21. 20,20,21,21,21-pentafluoro-17-hydroxy-11beta-(4-(methanesulfonyl)phenyl)-19-nor-17alpha-pregna-4,9-dien-3-one

    22. Ac-30930

    23. D11181

    24. Q27280805

    25. (8s,11r,13s,14s,17r)-17-hydroxy-13-methyl-11-(4-(methylsulfonyl)phenyl)-17-(perfluoroethyl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-3-one

    26. 19-norpregna-4,9-dien-3-one, 20,20,21,21,21-pentafluoro-17-hydroxy-11-(4-(methylsulfonyl)phenyl)-, (11.beta.,17.alpha.)-

    27. 20,20,21,21,21-pentafluoro-17-hydroxy-11.beta.-(4-(methanesulfonyl)phenyl)-19-nor-17.alpha.-pregna-4,9-dien-3-one

    28. Bay1002670; Bay-1002670; Bay 1002670; Bay-10-02670; Bay10-02670; Bay 10-02670

    2.4 Create Date
    2011-03-14
    3 Chemical and Physical Properties
    Molecular Weight 544.6 g/mol
    Molecular Formula C27H29F5O4S
    XLogP34.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count3
    Exact Mass544.17067139 g/mol
    Monoisotopic Mass544.17067139 g/mol
    Topological Polar Surface Area79.8 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity1140
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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