Abiraterone Ethyl Ether

CAS: 2484719-14-2

Ref. TR-A108525

Product Information

• Name: Abiraterone Ethyl Ether
• Synonyms: 3-((3S,8R,9S,10R,13S,14S)-3-ethoxy-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 Ethyl 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: 377.56
• Formula: C₂₆H₃₅NO
• Color/Form: Neat
• InChI: InChI=1S/C26H35NO/c1-4-28-20-11-13-25(2)19(16-20)7-8-21-23-10-9-22(18-6-5-15-27-17-18)26(23,3)14-12-24(21)25/h5-7,9,15,17,20-21,23-24H,4,8,10-14,16H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1
• InChI key: InChIKey=VGZRPOHXSOUGFK-UBUQANBQSA-N
• SMILES: CCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1