1219804-79-1

1219804-79-1 structure
1219804-79-1 structure
  • Name: 4-Methylcatechol-d6
  • Chemical Name: 4-(2H3)Methyl(2H3)-1H-imidazole
  • CAS Number: 1219804-79-1
  • Molecular Formula: C4D6N2
  • Molecular Weight: 88.141
  • Catalog: Research Areas Others
  • Create Date: 2018-06-11 00:11:28
  • Modify Date: 2024-04-06 12:05:46
  • 4-Methylcatechol-d6 is the deuterium labeled 4-Methylcatechol[1]. 4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase[2].

Name 4-(2H3)Methyl(2H3)-1H-imidazole
Synonyms 1H-Imidazole-1,2,5-d, 4-(methyl-d)-
4-(H)Methyl(H)-1H-imidazole
Description 4-Methylcatechol-d6 is the deuterium labeled 4-Methylcatechol[1]. 4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase[2].
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 Feb;53(2):211-216.  

[2]. Okuta A, et al. Construction of chimeric catechol 2,3-dioxygenase exhibiting improved activity against the suicide inhibitor 4-methylcatechol. Appl Environ Microbiol. 2004 Mar;70(3):1804-10.  

Density 1.1±0.1 g/cm3
Boiling Point 263.0±9.0 °C at 760 mmHg
Molecular Formula C4D6N2
Molecular Weight 88.141
Flash Point 141.6±5.1 °C
Exact Mass 88.090759
LogP 0.30
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.523