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    Galeterone

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 851983-85-2, Tok-001, Vn/124-1, Galaterone, Tok 001, Vn/124
    Molecular Formula
    C26H32N2O
    Molecular Weight
    388.5  g/mol
    InChI Key
    PAFKTGFSEFKSQG-PAASFTFBSA-N
    FDA UNII
    WA33E149SW
    Galeterone is an orally bioavailable small-molecule androgen receptor modulator and CYP17 lyase inhibitor with potential antiandrogen activity. Galeterone exhibits three distinct mechanisms of action: 1) as an androgen receptor antagonist, 2) as a CYP17 lyase inhibitor and 3) by decreasing overall androgen receptor levels in prostate cancer tumors, all of which may result in a decrease in androgen-dependent growth signaling. Localized to the endoplasmic reticulum (ER), the cytochrome P450 enzyme CYP17 (P450C17 or CYP17A1) exhibits both 17alpha-hydroxylase and 17,20-lyase activities, and plays a key role in the steroidogenic pathway that produces progestins, mineralocorticoids, glucocorticoids, androgens, and estrogens.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S,8R,9S,10R,13S,14S)-17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
    2.1.2 InChI
    InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1
    2.1.3 InChI Key
    PAFKTGFSEFKSQG-PAASFTFBSA-N
    2.1.4 Canonical SMILES
    CC12CCC(CC1=CCC3C2CCC4(C3CC=C4N5C=NC6=CC=CC=C65)C)O
    2.1.5 Isomeric SMILES
    C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4N5C=NC6=CC=CC=C65)C)O
    2.2 Other Identifiers
    2.2.1 UNII
    WA33E149SW
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 17-(1h-benzimidazol-1-yl)androsta-5,16-dien-3beta-ol

    2. 3-hydroxy-17-(1h-benzimidazole-1-yl)androsta-5,16-diene

    3. Vn-124-1

    2.3.2 Depositor-Supplied Synonyms

    1. 851983-85-2

    2. Tok-001

    3. Vn/124-1

    4. Galaterone

    5. Tok 001

    6. Vn/124

    7. Galeterone [usan]

    8. Tok-001 (galeterone)

    9. Vn 124

    10. Vn-124-1

    11. Wa33e149sw

    12. (3s,8r,9s,10r,13s,14s)-17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-3-ol

    13. Galeterone (usan)

    14. Vn-124

    15. 3-hydroxy-17-(1h-benzimidazole-1-yl)androsta-5,16-diene

    16. (3s,8r,9s,10r,13s,14s)-17-(1h-benzo[d]imidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol

    17. Galeterone [usan:inn]

    18. Unii-wa33e149sw

    19. (3beta)-17-(1h-benzimidazol-1-yl)androsta-5,16-dien-3-ol

    20. Tok-001(galeterone)

    21. Tok-001; Galeterone

    22. Galeterone [inn]

    23. Galeterone [who-dd]

    24. Schembl939234

    25. Gtpl8638

    26. 17-(1h-benzimidazol-1-yl)androsta-5,16-dien-3beta-ol

    27. Chembl2105738

    28. Galeterone, >=98% (hplc)

    29. Chebi:177536

    30. (3?)-17-(1h-benzimidazol-1-yl)androsta-5,16-dien-3-ol

    31. 3beta-hydroxy-17-(1h-benzimidazole-1-yl)androsta-5,16-diene

    32. Bcpp000040

    33. Dtxsid101025602

    34. Amy27882

    35. Bcp02827

    36. Ex-a1025

    37. Zinc6718442

    38. Bdbm50435990

    39. Mfcd16660907

    40. Akos005146524

    41. Cs-0334

    42. Db12415

    43. Ac-26549

    44. As-56204

    45. Hy-70006

    46. D10125

    47. J-501178

    48. Q5518498

    49. Vn/124-1;tok-001;vn 124;tok001;tok 001

    50. 3beta-hydroxy-17-(1h-benzimidazol-1-yl)-androsta-5,16-diene

    51. 3beta-hydroxy-17-(1h-benzimidazol-1-yl)androsta-5,16-diene

    52. Androsta-5,16-dien-3-ol, 17-(1h-benzimidazol-1-yl)-, (3beta)-

    53. Androsta-5,16-dien-3-ol, 17-(1h-benzimidazol-1-yl)-, (3.beta.)-

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 388.5 g/mol
    Molecular Formula C26H32N2O
    XLogP35.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass388.251463648 g/mol
    Monoisotopic Mass388.251463648 g/mol
    Topological Polar Surface Area38 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity743
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)