Methyl (5Beta,6Alpha,7Alpha)-6-Ethyl-7-hydroxy-3-oxo-cholan-24-oic Acid Ester

CAS: 2035450-58-7

Ref. TR-M268830

Informação sobre produto

• Nome: Methyl (5Beta,6Alpha,7Alpha)-6-Ethyl-7-hydroxy-3-oxo-cholan-24-oic Acid Ester

Descrição

Applications Methyl (5β,6α,7α)-6-Ethyl-7-hydroxy-3-oxo-cholan-24-oic Acid Ester is an intermediate used in the synthesis of 6α-Ethyl Ursodeoxycholic Acid (E932095), which is an epimer of Obeticholic Acid (E899810). Obeticholic Acid is a derivative of the bile acid Chenodeoxycholic Acid (C291900). Obeticholic 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: 432.64
• Fórmula: C₂₇H₄₄O₄
• InChI: InChI=1S/C27H44O4/c1-6-18-22-15-17(28)11-13-27(22,4)21-12-14-26(3)19(16(2)7-10-23(29)31-5)8-9-20(26)24(21)25(18)30/h16,18-22,24-25,30H,6-15H2,1-5H3/t16-,18-,19-,20+,21+,22+,24+,25-,26-,27-/m1/s1
• Chave InChI: InChIKey=NZVDZXCEVQWVRA-XDUSNGLISA-N
• SMILES: CC[C@@H]1[C@@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)OC)[C@@H]2[C@@H]1O