SML3096

Obeticholic acid

≥98% (HPLC)

• Synonym(s): (3α,5β, 6α,7α)-6-ethyl-3,7-dihydroxy-cholan-24-oic acid, 6-ECDCA, 6a-Ethyl-Chenodeoxycholic Acid, OCA
• Empirical Formula (Hill Notation): C₂₆H₄₄O₄
• CAS Number: 459789-99-2
• Molecular Weight: 420.63
• MDL number: MFCD16621104
• UNSPSC Code: 12352106
• NACRES: NA.77

Properties

• Quality Level: 100
• Assay: ≥98% (HPLC)
• form: powder
• optical activity: [α]/D +4 to +6°, c = 1.0 in methanol
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: C[C@@H]([C@@]1([H])CC[C@@]([H])([C@@]2([C@@H]([C@@H]([C@@]3(C[C@@H](CC[C@@]3([C@]2(CC4)[H])C)O)[H])CC)O)[H])[C@@]14C)CCC(O)=O
• 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
• InChI key: ZXERDUOLZKYMJM-ZWECCWDJSA-N

Description

Biochem/physiol Actions

Obeticholic acid (6-ECDCA) is a is a semi-synthetic bile acid analogue used to treat used to treat primary biliary cholangitis. Obeticholic acid is an orally available, potent and selective FXR agonist that exhibits anticholeretic and anti-inflammation effects.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable