Chemical Name: 4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide
Purity: ≥99% (HPLC)
Biological Activity
Technical Data
Solubility
Calculators
Datasheets
References
Biological Activity
Selective and potent COX-2 inhibitor (in vitro IC50 values are 0.005 and 140 μM for human recombinant COX-2 and COX-1 respectively). Displays potent anti-inflammatory activity in vivo.
Licensing Information
Sold for research purposes under agreement from Pfizer Inc.
Compound Libraries
Valdecoxib is also offered as part of the
Tocriscreen Plus. Find out more about compound libraries available from Tocris.
Technical Data
M. Wt
314.36
Formula
C16H14N2O3S
Storage
Store at RT
Purity
≥99% (HPLC)
CAS Number
181695-72-7
PubChem ID
119607
InChI Key
LNPDTQAFDNKSHK-UHFFFAOYSA-N
Smiles
CC1=C(C3=CC=C(S(=O)(N)=O)C=C3)C(C2=CC=CC=C2)=NO1
The technical data provided above is for guidance only. For batch specific data refer to the Certificate of Analysis.
All Tocris products are intended for laboratory research use only.
Solubility Data
Solvent
Max Conc. mg/mL
Max Conc. mM
Solubility
DMSO
31.44
100
Preparing Stock Solutions
The following data is based on the product molecular weight 314.36. Batch specific molecular weights may vary from batch to batch due to solvent of hydration, which will affect the solvent volumes required to prepare stock solutions.
Concentration / Solvent Volume / Mass
1 mg
5 mg
10 mg
1 mM
3.18 mL
15.91 mL
31.81 mL
5 mM
0.64 mL
3.18 mL
6.36 mL
10 mM
0.32 mL
1.59 mL
3.18 mL
50 mM
0.06 mL
0.32 mL
0.64 mL
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Product Datasheets
Certificate of Analysis / Product Datasheet
Safety Datasheet
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References
References are publications that support the products' biological activity.
Talleyet al (2000) 4-[5-methyl-3-phenylisoxazol-4-yl]-benzenesulfonamide, valdecoxib: a potent and selective inhibitor of COX-2. J.Med.Chem. 43 775 PMID: 10715145
Walkeret al (2001) A three-step kinetic mechanism for selective inhibition of cyclo-oxygenase-2 by diarylheterocyclic inhibitors. Biochem.J. 357 709 PMID: 11463341
Gierseet al (2005) Valdecoxib: assessment of cyclooxygenase-2 potency and selectivity. J.Pharmacol.Exp.Ther. 312 1206 PMID: 15494548