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CAS 1201918-16-2

:

N-[(3α,5β,7α)-3,7-Dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]glycine

Description:
N-[(3α,5β,7α)-3,7-Dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]glycine is a synthetic derivative of bile acids, specifically designed to incorporate deuterium isotopes, which can enhance its stability and alter its metabolic pathways. This compound features a steroid backbone characteristic of bile acids, with hydroxyl groups at the 3α and 7α positions, contributing to its solubility and biological activity. The presence of the glycine moiety suggests potential interactions with biological systems, possibly influencing bile acid metabolism or signaling pathways. The deuterated positions (2,2,4,4-d4) indicate that hydrogen atoms have been replaced with deuterium, which can be useful in tracing studies or in pharmacokinetic assessments. Overall, this compound may be of interest in research related to cholesterol metabolism, liver function, or as a potential therapeutic agent, although specific biological activities and applications would require further investigation.
Formula:C26H39D4NO5
InChI:InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1/i8D2,12D2
InChI key:InChIKey=GHCZAUBVMUEKKP-PKIQRPOYSA-N
SMILES:C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@H]3O)(C([C@H](O)C(C4)([2H])[2H])([2H])[2H])[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(NCC(O)=O)=O)C)[H])[H]
Synonyms:
  • Glycine, N-[(3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]-
  • N-[(3α,5β,7α)-3,7-Dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]glycine
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