Tauro-obeticholic acid

For research use only. Not for therapeutic Use.

  • CAT Number: I017316
  • CAS Number: 863239-61-6
  • Molecular Formula: C28H49NO6S
  • Molecular Weight: 527.76
  • Purity: ≥95%
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Tauro-obeticholic Acid (CAT: I017316) is the taurine-conjugated form of obeticholic acid (OCA), a potent farnesoid X receptor (FXR) agonist. As a bile acid derivative, it plays a key role in regulating bile acid synthesis, lipid metabolism, and glucose homeostasis. Tauro-obeticholic acid is widely used in preclinical studies to investigate cholestatic liver diseases, nonalcoholic steatohepatitis (NASH), and metabolic disorders. Conjugation with taurine improves solubility and mimics physiologically relevant bile acid conjugates, making it highly useful for studying enterohepatic circulation, FXR signaling pathways, and gut–liver axis interactions. It is a valuable tool in hepatology and metabolic disease research.


CAS Number 863239-61-6
Synonyms

2-[[(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-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]ethanesulfonic acid

Molecular Formula C28H49NO6S
Purity ≥95%
IUPAC Name 2-[[(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-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]ethanesulfonic acid
InChI InChI=1S/C28H49NO6S/c1-5-19-23-16-18(30)10-12-28(23,4)22-11-13-27(3)20(7-8-21(27)25(22)26(19)32)17(2)6-9-24(31)29-14-15-36(33,34)35/h17-23,25-26,30,32H,5-16H2,1-4H3,(H,29,31)(H,33,34,35)/t17-,18-,19-,20-,21+,22+,23+,25+,26-,27-,28-/m1/s1
InChIKey JEZXQTZLWHAKAC-NQGMLVFVSA-N
SMILES CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)NCCS(=O)(=O)O)C)C)O
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