6-epi-Obeticholic Acid-d7

CAS: 915038-27-6

Ref. TR-O099102

Produktinformation

• Name: 6-epi-Obeticholic Acid-d7
• Synonyme: (3alpha,5beta,6beta,7alpha)-6-Ethyl-3,7-dihydroxycholan-24-oic Acid-d7, (3alpha,5beta,6beta,7alpha)-6-Ethyl-3,7-dihydroxy-cholan-24-oic Acid-d7

Beschreibung

Applications 6-epi-Obeticholic Acid-d7 is an intermediate used in the synthesis of 6-Ethylchenodeoxycholic-d5 Acid (E899812), which is an isotope labelled compound of 6-Ethylchenodeoxycholic Acid (E899810), which is used in the investigative treatment of primary biliary cholangitis. Primary biliary cholangitis is an autoimmune disease of the liver that slowly progresses to cirrhosis.
References Ali, A. H, et al.: Expert Opin. Orphan Drugs, 4, 1011 (2016)

• Marke: TRC

Chemische Eigenschaften

• Molekulargewicht: 427.668
• Formel: C₂₆D₇H₃₇O₄
• Farbe/Form: Neat
• InChl: InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17?,18-,19?,20?,21?,23+,24-,25-,26-/m1/s1/i1D3,5D2,17D,24D
• InChI Key: InChIKey=ZXERDUOLZKYMJM-GHJFBYJLSA-N
• SMILES: [2H]C([2H])([2H])C([2H])([2H])C1([2H])C2C[C@H](O)CC[C@]2(C)C2CC[C@@]3(C)C(CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@]1([2H])O