1184998-16-0

1184998-16-0 structure

Name: Tolmetin-d3
Chemical Name: 2-[5-(4-methylbenzoyl)-1-(trideuteriomethyl)pyrrol-2-yl]acetic acid
CAS Number: 1184998-16-0
Molecular Formula: C₁₅H₁₂D₃NO₃
Molecular Weight: 260.30300
Catalog: Signaling Pathways Immunology/Inflammation COX
Create Date: 2016-02-23 22:54:35
Modify Date: 2024-01-08 18:15:53
Tolmetin-d3 is the deuterium labeled Tolmetin. Tolmetin is an orally active and potent COX inhibitor with IC50s of 0.35 µM and 0.82 µM human COX-1 and COX-2, respectively. Tolmetin is a non-steroidal anti-inflammatory drug (NSAID)[1][2].

Name	2-[5-(4-methylbenzoyl)-1-(trideuteriomethyl)pyrrol-2-yl]acetic acid
Synonyms	Tolmetin-d3 Tolmetine-d3 McN 2559-d3 1-Methyl-d3-5-p-toluoylpyrrole-2-acetic Acid

Description	Tolmetin-d3 is the deuterium labeled Tolmetin. Tolmetin is an orally active and potent COX inhibitor with IC50s of 0.35 µM and 0.82 µM human COX-1 and COX-2, respectively. Tolmetin is a non-steroidal anti-inflammatory drug (NSAID)[1][2].
Related Catalog	Research Areas >> Cancer Research Areas >> Inflammation/Immunology Signaling Pathways >> Immunology/Inflammation >> COX
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]. T D Warner, et al. Nonsteroid drug selectivities for cyclo-oxygenase-1 rather than cyclo-oxygenase-2 are associated with human gastrointestinal toxicity: a full in vitro analysis. Proc Natl Acad Sci U S A. 1999 Jun 22;96(13):7563-8. [3]. DADAŞ, Yakup, et al. Synthesis and anticancer activity of some novel tolmetin thiosemicarbazides. Marmara Pharmaceutical Journal 19(3) • April 2015 [4]. Etcheverry SB, et al. Three new vanadyl(IV) complexes with non-steroidal anti-inflammatory drugs (Ibuprofen, Naproxen and Tolmetin). Bioactivity on osteoblast-like cells in culture. J Inorg Biochem. 2002 Jan 1;88(1):94-100. [5]. Etcheverry SB, et al. Three new vanadyl(IV) complexes with non-steroidal anti-inflammatory drugs (Ibuprofen, Naproxen and Tolmetin). Bioactivity on osteoblast-like cells in culture. J Inorg Biochem. 2002 Jan 1;88(1):94-100. [6]. Etcheverry SB, et al. Three new vanadyl(IV) complexes with non-steroidal anti-inflammatory drugs (Ibuprofen, Naproxen and Tolmetin). Bioactivity on osteoblast-like cells in culture. J Inorg Biochem. 2002 Jan 1;88(1):94-100.

Molecular Formula	C₁₅H₁₂D₃NO₃
Molecular Weight	260.30300
Exact Mass	260.12400
PSA	59.30000
LogP	2.19160

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