Taurolithocholic Acid-d4 (sodium salt)

Taurolithocholic acid-d4 (TLCA-d4) is intended for use as an internal standard for the quantification of TLCA (Cay-17275) by GC- or LC-MS. TLCA is a taurine-conjugated form of the secondary bile acid lithocholic acid (Cay-20253). TLCA (75 µM) increases caspase-3 and -7 activity in Hep3B cells transfected with sodium taurocholate cotransporting peptide (NTCP), but not nontransfected Hep3B cells. It has been used to induce cholestasis in ex vivo and in vivo animal models of hepatocellular cholestasis. Serum levels of TLCA increase approximately 5-fold within two hours during an oral lipid tolerance test in humans.Formal Name: 2-[[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl-2,2,4,4-d4]amino]-ethanesulfonic acid, monosodium salt. CAS Number: 2410279-97-7. Synonyms: Sodium Taurolithocholate-d4, TLCA-d4. Molecular Formula: C26H40D4NO5S . Na. Formula Weight: 509.7. Purity: >99% deuterated forms (d1-d4). 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([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@@]21C.[Na+]. InChi Code: InChI=1S/C26H45NO5S.Na/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3,/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32),/q,+1/p-1/t17-,18-,19-,20+,21-,22+,23+,25+,26-,/m1./s1/i10D2,16D2,. InChi Key: YAERYJYXPRIDTO-WRXPQEKCSA-M.