(3beta)-16-[(3beta)-3-Hydroxyandrosta-5,16-dien-17-yl]-17-(3-pyridinyl)-androsta-5,16-dien-3-ol

CAS: 186826-70-0

Ref. TR-A108545

Product Information

• Name: (3beta)-16-[(3beta)-3-Hydroxyandrosta-5,16-dien-17-yl]-17-(3-pyridinyl)-androsta-5,16-dien-3-ol
• Synonyms: Androsta-5,16-dien-3-ol, 16-[(3ß)-3-hydroxyandrosta-5,16-dien-17-yl]-17-(3-pyridinyl)-, (3ß)-, (3ß)-16-[(3ß)-3-Hydroxyandrosta-5,16-dien-17-yl]-17-(3-pyridinyl)androsta-5,16-dien-3-ol

Description

Applications (3β)-16-[(3β)-3-Hydroxyandrosta-5,16-dien-17-yl]-17-(3-pyridinyl)-androsta-5,16-dien-3-ol is a derivative of Abiraterone (A108490), which is a steroidal cytochrome P 450 17α-hydroxylase-17,20-lyase inhibitor (CYP17), is currently undergoing phase II clinical trials as a potential drug for the treatment of androgen-dependent prostate cancer.
References Denis, L., et al.: Cancer, 72, 3888 (1993), Potter, G.A., et al.: J. Med. Chem., 38, 2463 (1995), Denmeade, S., et al.: Nat. Rev., 2, 389(2002), Scher, H., et al.: J. Clin. Oncol., 23, 8253 (2005),

• Brand: TRC

Chemical properties

• Molecular weight: 619.918
• Formula: C₄₃H₅₇NO₂
• Color/Form: Neat
• InChI: InChI=1S/C43H57NO2/c1-40-17-13-29(45)22-27(40)7-9-31-34-11-12-35(42(34,3)19-15-36(31)40)33-24-38-32-10-8-28-23-30(46)14-18-41(28,2)37(32)16-20-43(38,4)39(33)26-6-5-21-44-25-26/h5-8,12,21,25,29-32,34,36-38,45-46H,9-11,13-20,22-24H2,1-4H3/t29-,30-,31-,32+,3
• InChI key: InChIKey=QDCDCBNSTZOPIZ-MDASTROQSA-N
• SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2C1=C(c2cccnc2)[C@@]2(C)CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2C1