Phenylmethyl (3Alpha,5Beta,7Alpha)-6-Ethylidene-3,7-dihydroxy-cholan-24-oic Acid Ester

CAS: 1352328-67-6

Ref. TR-P404375

Informação sobre produto

• Nome: Phenylmethyl (3Alpha,5Beta,7Alpha)-6-Ethylidene-3,7-dihydroxy-cholan-24-oic Acid Ester

Descrição

Applications Phenylmethyl (3α,5β,7α)-6-Ethylidene-3,7-dihydroxy-Cholan-24-oic Acid Ester is an intermediate used in the synthesis of 6-Ethylchenodeoxycholic Acid (E899810), which is a derivative of the bile acid Chenodeoxycholic Acid (C291900). 6-Ethylchenodeoxycholic Acid is a potent activator of the farnesoid X nuclear receptor which reduces liver fat and fibrosis in animal models of fatty liver disease.
References Neuschwander-Tetri, B.A., et al.: Lancet., 385, 956 (2015);

• Marca: TRC

Propriedades químicas

• Peso molecular: 508.73
• Fórmula: C₃₃H₄₈O₄
• Cor/forma: Colorless Gummy Paste
• InChI: InChI=1S/C33H48O4/c1-5-24-28-19-23(34)15-17-33(28,4)27-16-18-32(3)25(12-13-26(32)30(27)31(24)36)21(2)11-14-29(35)37-20-22-9-7-6-8-10-22/h5-10,21,23,25-28,30-31,34,36H,11-20H2,1-4H3/b24-5+/t21-,23-,25-,26+,27+,28+,30+,31-,32-,33-/m1/s1
• Chave InChI: InChIKey=QAOWMCYCZWQNGW-ABWVKDNGSA-N
• SMILES: C/C=C1/[C@@H](O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC(=O)OCc2ccccc2)[C@@]2(C)CC[C@@H](O)C[C@@H]12