3-Deoxy-3-chloroabiraterone (Mixture of Diastereomers)

CAS: 2484719-16-4

Ref. TR-D232530

Product Information

• Name: 3-Deoxy-3-chloroabiraterone (Mixture of Diastereomers)
• Synonyms: 3-[(8R,9S,10R,13S,14S)-3-chloro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyridine

Description

Applications 3-Deoxy-3-chloroabiraterone is an impurtiy 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: 367.955
• Formula: C₂₄H₃₀ClN
• Color/Form: Neat
• InChI: InChI=1S/C24H30ClN/c1-23-11-9-18(25)14-17(23)5-6-19-21-8-7-20(16-4-3-13-26-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22H,6,8-12,14H2,1-2H3/t18?,19-,21-,22-,23-,24+/m0/s1
• InChI key: InChIKey=AABSRCWNTZDUBK-ZHVNYGEGSA-N
• SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4CC(Cl)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1