INT-747 (Obeticholic acid) [459789-99-2]
Cat# AOB6610-5
Size : 5mg
Brand : AOBIOUS
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Data sheet
| Molecular Formula | C26H44O4 |
| Molecular Weight | 420.63 |
| CAS Numbers | 459789-99-2 |
| Storage Condition | 0°C (short term), -20°C (long term), desiccated |
| Solubility | DMSO |
| Purity | 98% by HPLC |
| Synonym | 6-Ethylchenodeoxycholic acid; Obeticholic acid; INT 747; INT-747; INT747; 6-ECDCA; Ocaliva. |
| IUPAC/Chemical 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-cyclopentapmphenanthren-17-yl]pentanoic acid |
| InChl Key | ZXERDUOLZKYMJM-ZWECCWDJSA-N |
| InChl Code | 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 |
| SMILES Code | C[C@@H]([C@H]1CC[C@@]2(17)[C@]3(17)[C@H](O)[C@H](CC)[C@]4(17)C[C@H](O)CC[C@]4(C)[C@@]3(17)CC[C@]12C)CCC(O)=O |
| References | 1) LiverTox: Clinical and Research Information on Drug-Induced Liver Injury [Internet]. Bethesda (MD): National Institute of Diabetes and Digestive and Kidney Diseases; 2012 2) Fiorucci S, Di Giorgio C, Distrutti E. Obeticholic Acid: An Update of Its Pharmacological Activities in Liver Disorders. Handb Exp Pharmacol. 2019;256:283-295. doi: 10.1007/164_2019_227. Review. PubMed PMID: 31201552. |
More info
A potent and selective FXR agonist(EC50=99 nM) endowed with anticholestatic activity.