4-Methylcatechol-d3

Names

[ CAS No. ]:
83719-41-9

[ Name ]:
4-Methylcatechol-d3

[Synonym ]:
guaiacol-d3
2,2,2-trideuterio-1-p-tolyl-ethanone
d3-4-methylcatechol
d33-bromohexadecane
methyl-d3 p-tolyl ketone
2,2,2-Trideuterio-1-p-tolyl-aethanon
d3-4-methylacetophenone
[D33]-hexadecyl bromide
p-Tolyl-(D3)-methyl-keton

Biological Activity

[Description]:

4-Methylcatechol-d3 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]:

Research Areas >> Others

[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.  

Chemical & Physical Properties

[ Molecular Formula ]:
C7H5D3O2

[ Molecular Weight ]:
127.15600

[ Exact Mass ]:
127.07100

[ PSA ]:
40.46000

[ LogP ]:
1.40620

Synthetic Route

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Precursor & DownStream

Precursor

DownStream

Related Compounds