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52886-37-0

52886-37-0 structure
52886-37-0 structure
  • Name: Deoxycholic acid-13C
  • Chemical Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]pentanoic acid
  • CAS Number: 52886-37-0
  • Molecular Formula: C24H40O4
  • Molecular Weight: 393.565
  • Create Date: 2016-06-25 04:53:29
  • Modify Date: 2024-01-09 18:01:29
  • Deoxycholic acid-13C (Cholanoic acid-13C) is the 13C-labeled Deoxycholic acid. Deoxycholic acid is specifically responsible for activating the G protein-coupled bile acid receptor TGR5 that stimulates brown adipose tissue (BAT) thermogenic activity.

Name (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]pentanoic acid
Synonyms Cholan-24-oic-24-C acid, 3,12-dihydroxy-, (3α,5β,12α)-
3a,12a-Dihydroxy-5|A-cholanic acid-24-13C
Cholan-24-oic-24-C acid, 3,12-dihydroxy-, (3α,5β,12β)-
7-Deoxycholic acid-24-13C
(3α,5β,12β)-3,12-Dihydroxy(24-C)cholan-24-oic acid
<24-13C>-Deoxycholsaeure
Deoxycholic acid-24-13C
Desoxycholic acid-24-13C
(3α,5β,12α)-3,12-Dihydroxy(24-C)cholan-24-oic acid
3a,12a-Dihydroxy-5ß-cholanic acid-24-13C,7-Deoxycholic acid-24-13C,Desoxycholic acid-24-13C
Description Deoxycholic acid-13C (Cholanoic acid-13C) is the 13C-labeled Deoxycholic acid. Deoxycholic acid is specifically responsible for activating the G protein-coupled bile acid receptor TGR5 that stimulates brown adipose tissue (BAT) thermogenic activity.
Related Catalog
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.

[2]. Somm E, et al. β-Klotho deficiency protects against obesity through a crosstalk between liver, microbiota, and brown adipose tissue. JCI Insight. 2017 Apr 20;2(8). pii: 91809.

[3]. Wang X, et al. Acidified bile acids enhance tumor progression and telomerase activity of gastric cancer in micedependent on c-Myc expression. Cancer Med. 2017 Apr;6(4):788-797.

Density 1.1±0.1 g/cm3
Molecular Formula C24H40O4
Molecular Weight 393.565
Exact Mass 393.296021
PSA 77.76000
LogP 4.47790
Index of Refraction 1.543
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
RIDADR NONH for all modes of transport