3,17-Diiodoandrosta-3,5,16-triene

CAS: 1268610-38-3

Ref. TR-D126860

Product Information

• Name: 3,17-Diiodoandrosta-3,5,16-triene
• Synonyms: Androsta-3,5,16-triene, 3,17-diiodo- (ACI), 3,17-Diiodoandrosta-3,5,16-triene (ACI)
• CAS: 1268610-38-3

Description

Applications 3,17-Diiodoandrosta-3,5,16-triene is used in the synthesis of 3,17-Dicarboxamido-androst-3,5,16-triene via palladium-catalyzed aminocarbonylation. It is an Abiraterone 3-iodine impurity. Abiraterone is 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 Acs, Peter., et al.: Steroids, 76, 280(2011); 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: 506.203
• Formula: C₁₉H₂₄I₂
• Color/Form: Neat
• InChI: InChI=1S/C19H24I2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,6,11,14-16H,4-5,7-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
• InChI key: InChIKey=KZXKFMHRUHOAIT-QAGGRKNESA-N
• SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C=C(I)CC[C@@]43C)[C@@H]1CC=C2I