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CAS 516-90-5

:

2-{[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid

Description:
2-{[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, commonly known as tauroursodeoxycholic acid (TUDCA), is a bile acid derivative with notable biochemical properties. It is characterized by its amphipathic nature, which allows it to interact with both hydrophilic and hydrophobic environments. TUDCA is primarily recognized for its role in promoting cellular health and protecting against apoptosis, particularly in liver cells. It has been studied for its potential therapeutic effects in various liver diseases and neurodegenerative disorders due to its ability to enhance mitochondrial function and reduce endoplasmic reticulum stress. The compound features a steroid backbone, which is typical of bile acids, and contains a sulfonic acid group that contributes to its solubility in water. TUDCA is often used in research settings to investigate its effects on cellular signaling pathways and its potential as a therapeutic agent. Its safety profile and efficacy in clinical applications continue to be explored, making it a compound of interest in both pharmacology and biochemistry.
Formula:C26H45NO5S
InChI:InChI=1/C26H45NO5S/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)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
InChI key:InChIKey=QBYUNVOYXHFVKC-GBURMNQMSA-N
SMILES:C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(NCCS(=O)(=O)O)=O)C)[H])[H]
Synonyms:
  • 2-[[(3a,5b)-3-hydroxy-24-oxocholan-24-yl]amino]-Ethanesulfonic acid
  • 3α-Hydroxy-5β-cholanoyltaurine
  • 3α-Hydroxy-N-(2-sulfoethyl)-5β-cholan-24-amide
  • 516-90-5
  • Cholane, ethanesulfonic acid deriv.
  • Ethanesulfonic Acid, 2-[[(3A,5B)-3-Hydroxy-24-Oxocholan-24-Yl]Amino]-
  • Ethanesulfonic acid, 2-(((3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl)amino)-
  • Lithocholic acid taurine conjugate
  • Lithocholic acid taurine conjugic acid
  • Lithocholyltaurine
  • See more synonyms
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