Etoricoxib-d3

Modify Date: 2025-08-23 12:59:00

Etoricoxib-d3 Structure
Etoricoxib-d3 structure
 Common Name Etoricoxib-d3
CAS Number 850896-71-8 Molecular Weight 358.84200
Density N/A Boiling Point N/A
Molecular Formula C18H15ClN2O2S Melting Point N/A
MSDS N/A Flash Point N/A

 Use of Etoricoxib-d3


Etoricoxib-d3 is the deuterium labeled Etoricoxib[1]. Etoricoxib (MK-0663) is a non steroidal anti-inflammatory agent, acting as a selective and orally active COX-2 inhibitor, with IC50s of 1.1 μM and 116 μM for COX-2 and COX-1 in human whole blood[2][3][4].

 Names

Name 5-chloro-2-(6-methylpyridin-3-yl)-3-[4-(trideuteriomethylsulfonyl)phenyl]pyridine
Synonym More Synonyms

 Etoricoxib-d3 Biological Activity

Description Etoricoxib-d3 is the deuterium labeled Etoricoxib[1]. Etoricoxib (MK-0663) is a non steroidal anti-inflammatory agent, acting as a selective and orally active COX-2 inhibitor, with IC50s of 1.1 μM and 116 μM for COX-2 and COX-1 in human whole blood[2][3][4].
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]. Riendeau D, et al.Etoricoxib (MK-0663): preclinical profile and comparison with other agents that selectively inhibit cyclooxygenase-2. J Pharmacol Exp Ther. 2001 Feb;296(2):558-66.  

[3]. Kunak CS, et al. The Effect of Etoricoxib on Hepatic Ischemia-Reperfusion Injury in Rats. Oxid Med Cell Longev. 20152015:598162.  

[4]. Tanwar L, et al. Anti-proliferative and apoptotic effects of etoricoxib, a selective COX-2 inhibitor, on 1,2-dimethylhydrazine dihydrochloride-induced colon carcinogenesis. Asian Pac J Cancer Prev. 201011(5):1329-33.  

 Chemical & Physical Properties

Molecular Formula C18H15ClN2O2S
Molecular Weight 358.84200
Exact Mass 358.05400
PSA 68.30000
LogP 5.25670
InChIKey MNJVRJDLRVPLFE-BMSJAHLVSA-N
SMILES Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1

 Synonyms

Etoxib-d3
Etocox-d3
Kingcox-d3
Etropain-d3
Etobrix-d3
Torcoxia-d3
Arcoxia-d3
Tauxib-d3
Etoricoxib-d3
Algix-d3
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