Taurolithocholic Acid 3-sulfate (sodium salt)

Taurolithocholic acid 3-sulfate (TLCA3S) is a metabolite of the conjugated bile acid taurolithocholic acid (Cay-17275). TLCA3S has been used to study bile acid transport in cellular models and to induce pancreatitis in mouse models of bile acid infusion pancreatitis.Formal Name: 2-[[(3alpha,5beta)-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-ethanesulfonic acid, disodium salt. CAS Number: 64936-83-0. Synonyms: 3-Sulfotaurolithocholic acid, 3S-TLCA, TLCA3S, TLC-S. Molecular Formula: C26H43NO8S2 . 2Na. Formula Weight: 607.7. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 25 mg/mL, DMSO: 20 mg/mL, Ethanol: 1 mg/ml, PBS (pH 7.2): 1 mg/mL. SMILES: O=C(NCCS([O-])(=O)=O)CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](OS([O-])(=O)=O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C.[Na+].[Na+]. InChi Code: InChI=1S/C26H45NO8S2.2Na/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3,,/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34),,/q,2*+1/p-2/t17-,18-,19-,20+,21-,22+,23+,25+,26-,,/m. InChi Key: YHTVOGLKSGJIDL-RLHFEMFKSA-L.