[CAS NO. 181695-72-7] Valdecoxib

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PRODUCTS SPECIFICATIONS [181695-72-7]

Catalog

SLK-S4049

Brand

Selleck

CAS

181695-72-7

DESCRIPTION [181695-72-7]

Overview

MDL	MFCD00950568
Molecular Weight	314.36
Molecular Formula	C16H14N2O3S
SMILES	CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(S(N)(=O)=O)C=C3

For research use only.

Storage

3 years,-20°C,powder
1 years,-80°C,in solvent

Shipping

Room temperature shipping(Stability testing shows this product can be shipped without any cooling measures.)

Preparing Stock Solutions

Concentration Volume Mass	1 mg	5 mg	10 mg
1 mM	3.1811 mL	15.9053 mL	31.8107 mL
5 mM	0.6362 mL	3.1811 mL	6.3621 mL
10 mM	0.3181 mL	1.5905 mL	3.1811 mL
50 mM	0.0636 mL	0.3181 mL	0.6362 mL

Description

Valdecoxib is a potent and selective inhibitor of with of 5 nM.

Features

Valdecoxib is more potent in inhibiting COX-2 than COX-1.

Targets

COX-2 ^[1]

5 nM

In vitro

Valdecoxib inhibits LPS-induced PGE production in plasma with IC50 of 0.89 μM for assessment of the extent of COX-2 inhibition. Valdecoxib inhibits TxB production in plasma with IC50 of 25.4 μM for assessment of the extent of COX-1 inhibition. Valdecoxib binds to COX-2 with Ka of 1.1×10 M/s. The overall saturation binding affinity for COX-2 of Valdecoxib is 2.6 nM. Valdecoxib shows similar activity in the human whole-blood COX assay (COX-2 IC50 = 0.24 μM; COX-1 IC50 = 21.9 μM). The affinity of [H]Valdecoxib for COX-2 with K of 3.2 nM. The binding of Valdecoxib to COX-2 seems to be both rapid and slowly reversible with association rates of 4.5 × 10/M/min and dissociation rates of 7.0 × 10/min (t of 98 min). The percent of dissolved Valdecoxib at 15 min (DP) is 10.5% for Valdecoxib and 50%, 91% and 93% for its hydrophilic derivatives (VALD-βCd, VALD-HPβCd and VALD-SBE7βCd complexes), respectively.

In vivo

Valdecoxib administrated orally inhibits rat carrageenan foot pad edema with ED50 of 10.2 mg/kg. Valdecoxib administrated orally shows chronic antiinflammatory activity with ED50 of 0.032 mg/kg/day in rat adjuvant arthritis model. Valdecoxib administrated orally shows blockade of prostaglandin production at the inflammatory site with ED50 of 0.02 mg/kg in the rat carrageenan air pouch model. Valdecoxib demonstrates marked potency in acute and chronic models of inflammation (air pouch ED50 = 0.06 mg/kg; paw edema ED50 = 5.9 mg/kg; adjuvant arthritis ED50 = 0.03 mg/kg) in rats. Valdecoxib alone shows slow in vivo absorption giving maximum % inhibition of edema (16%) after a period of 3 hour. In contrast, VALD-βCd and VALD-SBE7βCd complexes shows high absorption rate in vivo achieving more than 50% inhibition of edema in the 1 hour and maximum percentage of inhibition of edema (66%) after a period of 3 hours. Valdecoxib (5 mg/kg, po) results in AUC in plasma of 3.58 μg*h/mL and 2.08 μg*h/mL in males and female mice, respectively. Valdecoxib (5 mg/kg, po) results in AUC red blood cells of 12.1 μg*h/mL and 6.42 μg*h/mL in males and female mice, respectively.

References

[1] Talley JJ, et al. J Med Chem, 2000, 43(5), 775-777.
[2] Gierse JK, et al. J Pharmacol Exp Ther, 2005, 312(3), 1206-12012.
[3] Hood WF, et al. Mol Pharmacol, 2003, 63(4), 870-877.
[4] Rajendrakumar K, et al. Eur J Pharm Biopharm, 2005, 60(1), 39-46.
[5] Zhang JY, et al. Drug Metab Dispos, 2003, 31(4), 491-501.

Synonyms

Benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)-

4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide

SC 65872

Valdecoxib

4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide

Bextra

Valecoxib

Valus

Valz

Vx 2

Valdyn