7-Ketoabiraterone Acetate

CAS: 2410075-48-6

Ref. TR-K170980

Product Information

• Name: 7-Ketoabiraterone Acetate
• Synonyms: (3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-7-oxo-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl Acetate
• CAS: 2410075-48-6

Description

Applications 7-Ketoabiraterone 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: 405.53
• Formula: C₂₆H₃₁NO₃
• Color/Form: Neat
• InChI: InChI=1S/C26H31NO3/c1-16(28)30-19-8-10-25(2)18(13-19)14-23(29)24-21-7-6-20(17-5-4-12-27-15-17)26(21,3)11-9-22(24)25/h4-6,12,14-15,19,21-22,24H,7-11,13H2,1-3H3/t19-,21-,22-,24-,25-,26+/m0/s1
• InChI key: InChIKey=FQBUSWIVMLHLIY-HMMDQRRVSA-N
• SMILES: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1