Description

4-Desmethyl-3-Methyl Celecoxib-D4 is a high-purity, deuterated analog of a key celecoxib metabolite, specifically designed for use as an internal standard in quantitative bioanalytical methods. This compound is critical for ensuring the accuracy and reliability of pharmacokinetic and metabolic studies, providing superior precision over non-deuterated standards. It is an essential tool for pharmaceutical R&D, contract research organizations (CROs), and analytical laboratories focused on drug development and regulatory compliance for anti-inflammatory agents.

Application

• Internal Standard for LC-MS/MS: Primary application as a stable, isotopically labeled internal standard for the precise quantification of celecoxib and its metabolites in biological matrices like plasma, serum, and urine.
• Pharmacokinetic (PK) Studies: Enables accurate tracking of drug absorption, distribution, metabolism, and excretion (ADME) profiles in preclinical and clinical research.
• Metabolite Profiling & Identification: Used as a reference standard to identify and quantify specific desmethyl and methylated metabolites of celecoxib in metabolic pathway studies.
• Bioanalytical Method Development & Validation: Critical for developing, optimizing, and validating robust HPLC and mass spectrometry-based assays to meet FDA, EMA, and ICH guidelines.
• Drug Impurity Testing: Serves as a reference marker in the analysis of drug substance and product impurities related to celecoxib synthesis.
• Forensic & Doping Analysis: Potential use as a certified reference material in forensic toxicology and sports anti-doping control for COX-2 inhibitor detection.

Basic Information

Product Name	4-Desmethyl-3-Methyl Celecoxib-D4
CAS No.	1346604-72-5
Molecular Formula	C16H10D4F3N3O2S
Molecular Weight	~ 357.39 g/mol
Synonyms	Celecoxib D4 Metabolite; 4-Desmethyl-3-methylcelecoxib-d4; 4-Desmethyl-3-methyl Celecoxib (tetradeuterated); 1-[4-Methyl-2-(4-trifluoromethylphenyl)thiazol-5-yl]-3-trideuteromethyl-5-(trideuteromethyl)pyrazole; SC-62807-D4 (Metabolite); 3,5-Bis(trideuteromethyl)-1-[4-methyl-2-(4-(trifluoromethyl)phenyl)-1,3-thiazol-5-yl]-1H-pyrazole; Deuterated Celecoxib Metabolite Standard
EINECS	Contact for details

Quality Control

Every batch of 4-Desmethyl-3-Methyl Celecoxib-D4 is manufactured under strict quality management systems and undergoes comprehensive analytical characterization. We guarantee high chemical and isotopic purity suitable for sensitive mass spectrometry applications. Our products are supported by a comprehensive Certificate of Analysis (COA) detailing purity, isotopic enrichment, and identity confirmation via NMR, HPLC, and MS. Certificates are available upon request to support your regulatory and quality documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) or as indicated on the label. This material is hygroscopic (moisture-sensitive) and should be kept in a dry environment. For long-term storage, consider desiccation.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Conforms to reference standard
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (D4)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Complies with ICH limits

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.