1189656-64-1

1189656-64-1 structure
1189656-64-1 structure
  • Name: 4'-Hydroxy diclofenac-13C6
  • Chemical Name: 2-[2-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acid
  • CAS Number: 1189656-64-1
  • Molecular Formula: C14H11Cl2NO3
  • Molecular Weight: 318.10400
  • Create Date: 2016-07-01 21:16:35
  • Modify Date: 2024-01-02 07:42:52
  • 4'-Hydroxy diclofenac-13C6 is the 13C labeled 4'-Hydroxy diclofenac[1]. 4'-Hydroxy diclofenac is an orally active metabolite of Diclofenac (HY-15036) by cytochrome P450 2C9 (CYP2C9). 4'-Hydroxy diclofenac has anti-inflammatory and analgesic properties[2][3].

Name 2-[2-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acid
Synonyms 4'-Hydroxy Diclofenac-13C6
Description 4'-Hydroxy diclofenac-13C6 is the 13C labeled 4'-Hydroxy diclofenac[1]. 4'-Hydroxy diclofenac is an orally active metabolite of Diclofenac (HY-15036) by cytochrome P450 2C9 (CYP2C9). 4'-Hydroxy diclofenac has anti-inflammatory and analgesic properties[2][3].
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 Feb;53(2):211-216.  

[2]. J Shimamoto, et al. Lack of Differences in Diclofenac (A Substrate for CYP2C9) Pharmacokinetics in Healthy Volunteers With Respect to the Single CYP2C9*3 Allele. Eur J Clin Pharmacol. 2000 Apr;56(1):65-8.  

[3]. Hidetaka Kamimura, et al. Formation of the Accumulative Human Metabolite and Human-Specific Glutathione Conjugate of Diclofenac in TK-NOG Chimeric Mice With Humanized Livers. Drug Metab Dispos. 2015 Mar43(3):309-16.  

Molecular Formula C14H11Cl2NO3
Molecular Weight 318.10400
Exact Mass 317.03200
PSA 69.56000
LogP 4.14270
Symbol GHS02 GHS06 GHS08
GHS02, GHS06, GHS08
Signal Word Danger
Hazard Statements H225-H301 + H311 + H331-H370
Precautionary Statements P210-P260-P280-P301 + P310-P311
RIDADR UN1230 - class 3 - PG 2 - Methanol, solution
Flash Point(F) 48.2 °F
Flash Point(C) 9 °C