Tauro-alpha-muricholic Acid-d4 (sodium salt)

Tauro-alpha-muricholic acid-d4 (TalphaMCA-d4) is intended for use as an internal standard for the quantification of TalphaMCA (Cay-20288) by GC- or LC-MS. TalphaMCA is an antagonist of the farnesoid X receptor (FXR, IC50 = 28 µM) and a taurine-conjugated form of the murine-specific primary bile acid alpha-muricholic acid (Cay-20291). TalphaMCA is common in rodents but has also been found in small amounts in human serum.Formal Name: 2-[[(3alpha,5beta,6beta,7alpha)-3,6,7-trihydroxy-24-oxocholan-24-yl-2,2,4,4-d4)]amino]-ethanesulfonic acid, monosodium salt. Synonyms: Tauro-alpha-muricholate-d4, TalphaMCA-d4. Molecular Formula: C26H40D4NO7S . Na. Formula Weight: 541.7. Purity: >99% deuterated forms (d1-d4). Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 10 mg/ml, DMSO: 10 mg/ml, DMSO:PBS (pH 7.2) (1:4): 0.2 mg/ml, Ethanol: 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@@H](O)[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/C26H45NO7S.Na/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31,/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34),/q,+1/p-1/t15-,16-,17-,18+,19+,20+,22+,23+,24+,25-,26-,/m1./s1/i8D2,14D2,. InChi Key: NYXROOLWUZIWRB-YHXAEYHASA-M.