(3β)-16-[(3β)-3-(Acetyloxy)androsta-5,16-dien-17-yl]-17-(3-pyridinyl)-androsta-5,16-dien-3-ol 3-Acetate

CAS: 186826-68-6

Ref. TR-A108550

Product Information

• Name: (3β)-16-[(3β)-3-(Acetyloxy)androsta-5,16-dien-17-yl]-17-(3-pyridinyl)-androsta-5,16-dien-3-ol 3-Acetate
• Synonyms: Androsta-5,16-dien-3-ol, 16-[(3ß)-3-(acetyloxy)androsta-5,16-dien-17-yl]-17-(3-pyridinyl)-, 3-acetate, (3ß)-, Androsta-5,16-dien-3-ol, 16-[(3ß)-3-(acetyloxy)androsta-5,16-dien-17-yl]-17-(3-pyridinyl)-, acetate (ester), (3ß)- (9CI), (3ß)-16-[(3ß)-3-(Acetyl
• CAS: 186826-68-6

Description

Applications (3β)-16-[(3β)-3-(Acetyloxy)androsta-5,16-dien-17-yl]-17-(3-pyridinyl)-androsta-5,16-dien-3-ol 3-Acetate 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: 703.991
• Formula: C₄₇H₆₁NO₄
• Color/Form: Neat
• InChI: InChI=1S/C47H61NO4/c1-28(49)51-33-15-19-44(3)31(24-33)9-11-35-38-13-14-39(46(38,5)21-17-40(35)44)37-26-42-36-12-10-32-25-34(52-29(2)50)16-20-45(32,4)41(36)18-22-47(42,6)43(37)30-8-7-23-48-27-30/h7-10,14,23,27,33-36,38,40-42H,11-13,15-22,24-26H2,1-6H3/t33-
• InChI key: InChIKey=LFPGBQAWACWPBR-NBDAZIKLSA-N
• SMILES: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C5=C(c6cccnc6)[C@@]6(C)CC[C@H]7[C@@H](CC=C8C[C@@H](OC(C)=O)CC[C@@]87C)[C@@H]6C5)[C@@]4(C)CC[C@@H]32)C1