3-Deoxy-3-acetylabiraterone-3-ene

CAS: 2697127-16-3

Ref. TR-D232060

Product Information

• Name: 3-Deoxy-3-acetylabiraterone-3-ene
• Synonyms: Ethanone, 1-[17-(3-pyridinyl)androsta-3,5,16-trien-3-yl]- (ACI)

Description

Applications 3-Deoxy-3-acetylabiraterone-3-ene is an impurity of Abiraterone (A108490), 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: 373.53
• Formula: C₂₆H₃₁NO
• Color/Form: Neat
• InChI: InChI=1S/C26H31NO/c1-17(28)18-10-12-25(2)20(15-18)6-7-21-23-9-8-22(19-5-4-14-27-16-19)26(23,3)13-11-24(21)25/h4-6,8,14-16,21,23-24H,7,9-13H2,1-3H3/t21-,23-,24-,25-,26+/m0/s1
• InChI key: InChIKey=RFDAIACWWDREDC-IXARZJBASA-N
• SMILES: C[C@@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C