3b-17-Imino-androst-5-en-3-ol Dimer

CAS: 491873-45-1

Ref. TR-I399800

Información del producto

• Nombre: 3b-17-Imino-androst-5-en-3-ol Dimer

Descripción

Applications 3β-17-Imino-androst-5-en-3-ol Dimer is an impurity of Abiraterone (A108490), a steroidal cytochrome P 450 17α-hydroxylase-17,20-lyase inhibitor (CYP17). Abiraterone 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)

• Marca: TRC

Propiedades químicas

• Peso molecular: 572.86
• Fórmula: C₃₈H₅₆N₂O₂
• Color/Forma: Neat
• InChI: InChI=1S/C38H56N2O2/c1-35-17-13-25(41)21-23(35)5-7-27-29-9-11-33(37(29,3)19-15-31(27)35)39-40-34-12-10-30-28-8-6-24-22-26(42)14-18-36(24,2)32(28)16-20-38(30,34)4/h5-6,25-32,41-42H,7-22H2,1-4H3/b39-33+,40-34+/t25-,26-,27-,28-,29-,30-,31-,32-,35-,36-,37-,38-/m0/s1
• Clave InChI: InChIKey=TWJCNVOIEMSYGV-XBQJCSIHSA-N
• SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C1/CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C