PZ0179

Valdecoxib

≥98% (HPLC)

• Synonym(s): 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
• Empirical Formula (Hill Notation): C₁₆H₁₄N₂O₃S
• CAS Number: 181695-72-7
• Molecular Weight: 314.36
• MDL number: MFCD00950568
• UNSPSC Code: 12352200
• PubChem Substance ID: 329823753
• NACRES: NA.77

Properties

• Quality Level: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to off-white
• solubility: DMSO: >25 mg/mL
• storage temp.: room temp
• SMILES string: Cc1onc(-c2ccccc2)c1-c3ccc(cc3)S(N)(=O)=O
• InChI: 1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
• InChI key: LNPDTQAFDNKSHK-UHFFFAOYSA-N
• Gene Information: human ... PTGS2(5743)

Description

General description

Valdecoxib (VCX) is a diaryl substituted isoxazole compound. It comprises of sulfonyl propanamide and is a metabolite of parecoxib.

Application

Valdecoxib may be used: as cyclooxygenase-2 (COX-2) inhibitor in fibroblast cells, as an analyte for mass spectrometry analysis, as an standard in ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) for quantification of valdecoxib in plasma samples

Biochem/physiol Actions

Valdecoxib is reported to elicit anti-inflammatory, analgesic and antipyretic functionality. It acts as a substrate for the liver enzyme cytochrome P450 2C9(CYP2C9) and cytochrome P450 3A4 (CYP3A4).

Valdecoxib is a non-steroidal anti-inflammatory drug (NSAID), a cyclooxygenase-2 (COX-2) selective inhibitor.

Safety Information

• pictograms: GHS08,GHS09
• signalword: Warning
• hcodes: H361d,H373,H410
• pcodes: P202 - P260 - P273 - P280 - P308 + P313 - P391
• Hazard Classifications: Aquatic Chronic 1 - Repr. 2 - STOT RE 2
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable