alpha-Epoxyabiraterone Acetate

CAS: 2484719-11-9

Ref. TR-E589090

Product Information

• Name: alpha-Epoxyabiraterone Acetate
• Synonyms: (4S,6aR,6bS,8aS,8bR,9aR,10aS,10bR)-6a,8a-Dimethyl-8b-(pyridin-3-yl)-3,4,5,6,6a,6b,7,8,8a,8b,9a,10,10a,10b-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-4-yl Acetate
• CAS: 2484719-11-9

Description

Stability Hygroscopic
Applications α-Epoxyabiraterone Acetate 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: 407.55
• Formula: C₂₆H₃₃NO₃
• Color/Form: Neat
• InChI: InChI=1S/C26H33NO3/c1-16(28)29-19-8-10-24(2)17(13-19)6-7-20-21(24)9-11-25(3)22(20)14-23-26(25,30-23)18-5-4-12-27-15-18/h4-6,12,15,19-23H,7-11,13-14H2,1-3H3/t19-,20+,21-,22-,23+,24-,25-,26+/m0/s1
• InChI key: InChIKey=QWQDAOJSWITEOJ-XRAHEMMWSA-N
• SMILES: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5O[C@@]5(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1