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Valdecoxib Chemical Structure

Valdecoxib

Data Sheet For research use only. Not for human use.
Cat. No. :BCP02419CAS No. :181695-72-7Purity:98%
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  • Chemical Properties&Biological Activity
CAS No. 181695-72-7 Cat. No. BCP02419
Name Valdecoxib
Synonyms SC-65872; YM974;SC65872; YM-974;SC 65872; YM 974;
SMILES
Chemical Name
Formula C16H14N2O3S M. Wt 314.36
Purity 98% Storage Store at 4-8°C
Description Valdecoxib inhibits LPS-induced PGE2 production in plasma with IC50 of 0.89 μM for assessment of the extent of COX-2 inhibition. Valdecoxib inhibits TxB2 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 1.1×105 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 [3H]Valdecoxib for COX-2 with KD 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 × 106/M/min and dissociation rates of 7.0 × 10-3/min (t1/2 of 98 min). The percent of dissolved Valdecoxib at 15 min (DP15) is 10.5% for Valdecoxib and 50%, 91% and 93% for its hydrophilic derivatives (VALD-βCd, VALD-HPβCd and VALD-SBE7βCd complexes), respectively.
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