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
References
References are publications that support the products' biological activity.
Talley et 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
Walker et al (2001) A three-step kinetic mechanism for selective inhibition of cyclo-oxygenase-2 by diarylheterocyclic inhibitors. Biochem.J. 357 709 PMID: 11463341
Gierse et al (2005) Valdecoxib: assessment of cyclooxygenase-2 potency and selectivity. J.Pharmacol.Exp.Ther. 312 1206 PMID: 15494548
Keywords: Valdecoxib, supplier, cyclooxygenase-2, COX-2, inhibitors, inhibits, selective, potent, NSAIDs, pfizer, non-steroidal, anti-inflammatory, Cyclooxygenase, Cyclooxygenase, Tocris Bioscience
