Tauro-β-muricholic acid sodium salt
| Catalog Number | BL-M000511 |
| CAS Number | 145022-92-0 |
| Description | Tauro-β-muricholic acid is a competitive and reversible antagonist of the farnesoid X receptor (FXR) with IC50 value of 40 µM. |
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| IUPAC Name | sodium;2-[[(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate |
| Synonyms | 5beta-cholanic acid-3alpha,6beta,7beta-triol N-(2-sulphoethyl)-amide, sodium salt; 2-[[(3alpha,5beta,6beta,7beta)-3,6,7-trihydroxy-24-oxocholan-24-yl]amino]-ethanesulfonic acid, monosodium salt |
| Molecular Weight | 537.69 |
| Molecular Formula | C26H44NNaO7S |
| Purity | ≥95% |
| Appearance | Crystalline Solid |
| Shelf Life | 1 Year |
| Storage | Store at -20°C |
| Percent Composition | C 58.08%, H 8.25%, N 2.61%, Na 4.28%, O 20.83%, S 5.96% |
| Canonical SMILES | CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C.[Na+] |
| InChI | 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 |
| InChI Key | NYXROOLWUZIWRB-GPHZYVDLSA-M |
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