Tauro-Obeticholic Acid (sodium salt)

Tauro-obeticholic acid is an active metabolite of obeticholic acid, which is a farnesoid X receptor (FXR) agonist and semisynthetic derivative of chenodeoxycholic acid (Cay-10011286). Tauro-obeticholic acid is formed from obeticholic acid by taurine conjugation in the liver but can be reconverted back to obeticholic acid by intestinal microflora.Formal Name: 2-[[(3alpha,5beta,6alpha,7alpha)-6-ethyl-3,7-dihydroxy-24-oxocholan-24-yl]amino]-ethanesulfonic acid, monosodium salt. CAS Number: 2278141-79-8. Synonyms: Obeticholic Acid Taurine Conjugate, Tauro-OCA, Tauro-6-Ethyl-CDCA, Tauro-6-Ethylchenodeoxycholic Acid, T-ECDCA. Molecular Formula: C28H48NO6S . Na. Formula Weight: 549.7. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMF: 20 mg/ml, DMSO: 20 mg/ml, Ethanol: 20 mg/ml, PBS (pH 7.2): 2 mg/ml. SMILES: CC[C@@H]1[C@]2([H])C[C@H](O)CC[C@]2(C)[C@]3([H])[C@@]([C@@](CC[C@]4([H])[C@@H](CCC(NCCS([O-])(=O)=O)=O)C)([H])[C@]4(C)CC3)([H])[C@@H]1O.[Na+]. InChi Code: InChI=1S/C28H49NO6S.Na/c1-5-19-23-16-18(30)10-12-28(23,4)22-11-13-27(3)20(7-8-21(27)25(22)26(19)32)17(2)6-9-24(31)29-14-15-36(33,34)35,/h17-23,25-26,30,32H,5-16H2,1-4H3,(H,29,31)(H,33,34,35),/q,+1/p-1/t17-,18-,19-,20-,21+,22+,23+,25+,26-,27-,28-,/m1./s1. InChi Key: FYNWRGZEJLGRGW-YIKLTSIESA-M.