CAS 459789-99-2 appears in our catalog under these names: Obeticholic Acid, 6-Ethylchenodeoxycholic Acid, >95% (HPLC), Obeticholic Acid, Obeticholic Acid/ 99.78% (existing batch purity), Obeticholic Acid, >97.0%(GC)(T). Offered by: Chemat Brand, TRC, Mikromol, GLPBio, TargetMol. Available pack sizes: on request, 100mg, 10mg, 50mg, 250mg, 25mg, 5mg, 10mM (in 1ml dmso).
Obeticholic acid is a dihydroxy-5beta-cholanic acid that is chenodeoxycholic acid carrying an additional ethyl substituent at the 6alpha-position. A semi-synthetic bile acid which acts as a farnesoid X receptor agonist and is used for treatment of primary biliary cholangitis. It has a role as a farnesoid X receptor agonist and a hepatoprotective agent. It is a dihydroxy-5beta-cholanic acid, a 3alpha-hydroxy steroid and a 7alpha-hydroxy steroid. It is functionally related to a chenodeoxycholic acid.
Source: ChEBI
| Molecular formula | C26H44O4 |
|---|---|
| Molecular weight | 420.6 g/mol |
| IUPAC name | (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| InChIKey | ZXERDUOLZKYMJM-ZWECCWDJSA-N |
| SMILES | CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O |
Computed by PubChem (NCBI)