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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:
181695-72-7
Molecular Weight:
314.36
NACRES:
NA.77
PubChem Substance ID:
329823753
UNSPSC Code:
12352200
MDL number:
MFCD00950568
Assay:
≥98% (HPLC)
Form:
powder
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Quality Segment

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)

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.

pictograms

Health hazardEnvironment
GHS08,GHS09

signalword

Warning

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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