Taurocholic Acid 3-sulfate (sodium salt)

Taurocholic acid 3-sulfate (TCA3S) is a metabolite of the conjugated bile acid taurocholic acid (Cay-16215). Plasma levels of TCA3S are elevated in wild-type and Sortilin 1 (Sort1) knockout mice at 6 hours following bile duct ligation (BDL) and are further elevated in Sort1 knockout mice at 24 hours post-BDL.Formal Name: 2-[[(3alpha,5beta,7alpha,12alpha)-7,12-dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-ethanesulfonic acid, disodium salt. CAS Number: 71781-33-4. Synonyms: 3-Sulfocholyl Taurine, TCA3S. Molecular Formula: C26H43NO10S2 . 2Na. Formula Weight: 639.7. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 1 mg/ml, DMSO: 0.3 mg/ml, PBS (pH 7.2): 1 mg/ml. SMILES: C[C@H](CCC(NCCS([O-])(=O)=O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](OS([O-])(=O)=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@@]21C.[Na+].[Na+]. InChi Code: InChI=1S/C26H45NO10S2.2Na/c1-15(4-7-23(30)27-10-11-38(31,32)33)18-5-6-19-24-20(14-22(29)26(18,19)3)25(2)9-8-17(37-39(34,35)36)12-16(25)13-21(24)28,,/h15-22,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32,33)(H,34,35,36),,/q,2*+1/p-2/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-,,/m1../s1. InChi Key: JDZGOMAYFRJNTP-NEMAEHQESA-L.