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CAS 516-35-8

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Taurochenodeoxycholic acid

Description:
Taurochenodeoxycholic acid (TCDCA) is a bile acid derivative, specifically a taurine-conjugated form of chenodeoxycholic acid. It is a white to off-white powder that is soluble in water and exhibits a strong amphipathic nature due to its hydrophobic steroid nucleus and hydrophilic taurine moiety. TCDCA plays a crucial role in the emulsification and absorption of dietary fats and fat-soluble vitamins in the intestine. It is involved in the regulation of cholesterol metabolism and has been studied for its potential therapeutic effects in liver diseases and metabolic disorders. The compound has a relatively high pKa, indicating that it exists predominantly in its anionic form at physiological pH. Additionally, TCDCA can influence various cellular signaling pathways, including those related to inflammation and apoptosis. Its biological activities and interactions with specific receptors, such as the farnesoid X receptor (FXR), make it a subject of interest in pharmacological research. Overall, TCDCA is significant in both digestive physiology and potential clinical applications.
Formula:C26H45NO6S
InChI:InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1
InChI key:InChIKey=BHTRKEVKTKCXOH-BJLOMENOSA-N
SMILES:C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@H]3O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(NCCS(=O)(=O)O)=O)C)[H])[H]
Synonyms:
  • 12-Deoxycholyltaurine
  • 12-Desoxycholyltaurine
  • 2-[4-(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)Pentanoylamino]Ethanesulfonic Acid
  • 2-[[(3α,5β,7α)-3,7-Dihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic acid
  • 3α,7α-Dihydroxy-N-(2-sulfoethyl)-5β-cholan-24-amide
  • Chenodeoxycholyltaurine
  • Chenyltaurine
  • Cholane, ethanesulfonic acid deriv.
  • Ethanesulfonic acid, 2-[[(3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-
  • Taurine, N-(3α,7α-dihydroxy-5β-cholan-24-oyl)-
  • See more synonyms
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