H-052

4′-Hydroxydiclofenac solution

100 μg/mL in acetonitrile, ampule of 1 mL, certified reference material, Cerilliant^®

• Empirical Formula (Hill Notation): C₁₄H₁₁Cl₂NO₃
• CAS Number: 64118-84-9
• Molecular Weight: 312.15
• EC Number: 200-835-2
• UNSPSC Code: 41116107
• NACRES: NA.24

Properties

• grade: certified reference material
• form: liquid
• feature: Snap-N-Spike^®/Snap-N-Shoot^®
• packaging: ampule of 1 mL
• manufacturer/tradename: Cerilliant^®
• concentration: 100 μg/mL in acetonitrile
• technique(s): gas chromatography (GC): suitable; liquid chromatography (LC): suitable
• application(s): clinical testing
• format: single component solution
• storage temp.: −20°C
• SMILES string: OC(=O)Cc1ccccc1Nc2c(Cl)cc(O)cc2Cl
• InChI: 1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)
• InChI key: KGVXVPRLBMWZLG-UHFFFAOYSA-N

Description

General description

A certified solution standard suitable for use in LC/MS or GC/MS applications for clinical toxicology, forensic analysis, or pharmaceutical research. 4′-Hydroxydiclofenac is a major metabolite of diclofenac, a COX-2 inhibitor used for the treatment of minor aches, pains, and fever.

Application

• Metabolism of non-steroidal anti-inflammatory drugs (NSAIDs): This study examines the biotransformation of 4′-Hydroxydiclofenac by Streptomyces griseolus CYP105A1, emphasizing its relevance in pharmacokinetic research on drug metabolism and enzyme inhibition studies (Yogo et al., 2022).
• A multi-biomarker approach to assess toxicity of diclofenac and 4-OH diclofenac: Investigates the environmental impact of 4′-Hydroxydiclofenac on molluscs, providing insights into the ecological side-effects of pharmaceutical residues and their metabolites, important for researchers studying drug metabolism and environmental safety (Swiacka et al., 2022).
• Cytochrome P450 Expression and Chemical Metabolic Activity before Full Liver Development in Zebrafish: Highlights the role of 4′-Hydroxydiclofenac in early developmental stages of liver metabolism in zebrafish, useful for developmental pharmacokinetics and toxicology studies (Nawaji et al., 2020).
• Different Roles of Human Cytochrome P450 2C9 and 3A Enzymes in Diclofenac 4′- and 5-Hydroxylations: Explores the specific roles of cytochrome P450 enzymes in the metabolism of diclofenac and its major metabolite 4′-Hydroxydiclofenac, offering critical insights for pharmacokinetic research and drug metabolism assays (Miura et al., 2020).

Legal Information

CERILLIANT is a registered trademark of Merck KGaA, Darmstadt, Germany

Snap-N-Shoot is a registered trademark of Cerilliant Corporation

Snap-N-Spike is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H302 + H312 + H332,H319
• pcodes: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 35.6 °F - closed cup
• flash_point_c: 2 °C - closed cup