Abiraterone Isopropyl Ether

CAS: 2484719-15-3

Ref. TR-A108530

Product Information

• Name: Abiraterone Isopropyl Ether
• Synonyms: 3-((3S,8R,9S,10R,13S,14S)-3-Isopropoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine

Description

Applications Abiraterone Isopropyl Ether 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: 391.59
• Formula: C₂₇H₃₇NO
• Color/Form: Neat
• InChI: InChI=1S/C27H37NO/c1-18(2)29-21-11-13-26(3)20(16-21)7-8-22-24-10-9-23(19-6-5-15-28-17-19)27(24,4)14-12-25(22)26/h5-7,9,15,17-18,21-22,24-25H,8,10-14,16H2,1-4H3/t21-,22-,24-,25-,26-,27+/m0/s1
• InChI key: InChIKey=DORVFIKWPJXVAP-MVVRIGEBSA-N
• SMILES: CC(C)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1