PZ0179
Valdecoxib
≥98% (HPLC)
Synonym(s):
4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
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About This Item
Empirical Formula (Hill Notation):
C16H14N2O3S
CAS Number:
Molecular Weight:
314.36
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Quality Level
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)
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 a non-steroidal anti-inflammatory drug (NSAID), a cyclooxygenase-2 (COX-2) selective inhibitor.
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).
signalword
Warning
hcodes
Hazard Classifications
Aquatic Chronic 1 - Repr. 2 - STOT RE 2
Storage Class
11 - Combustible Solids
flash_point_f
Not applicable
flash_point_c
Not applicable
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Disposition of a specific cyclooxygenase-2 inhibitor, valdecoxib, in human
Yuan JJ, et al.
Drug Metabolism and Disposition, 30(9), 1013-1021 (2002)
Shuang-Long Li et al.
Drug design, development and therapy, 14, 1117-1125 (2020-03-28)
A method for the simultaneous determination of parecoxib and its metabolite valdecoxib in beagle plasma by UPLC-MS/MS was developed and validated. After the plasma was extracted by acetonitrile precipitation, the analytes were separated on an Acquity UPLC BEH C18 column
Determination of parecoxib and valdecoxib in rat plasma by UPLC-MS/MS and its application to pharmacokinetics studies
Chen M, et al.
BMC Pharmacology & Toxicology, 21, 1-10 (2020)