Name: Valdecoxib
Brand: Selleck Chemicals
SKU: S4049
Availability: InStock
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Quality Control

Batch: S404901 DMSO]63 mg/mL]false]Ethanol]18 mg/mL]false]Water]Insoluble]false Purity: 99.98%

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COA
NMR
SDS
Datasheet

99.98

Related Targets	Adrenergic Receptor AChR 5-HT Receptor Calcium Channel Histamine Receptor Dopamine Receptor GABA Receptor TRP Channel Cholinesterase (ChE) GluR
Other COX Inhibitors	NS-398 (NS398) Paeoniflorin (NSC 178886) Lumiracoxib Xanthohumol Bufexamac Nimesulide Ginsenoside Rd Oroxin B Phenacetin Tolfenamic Acid

Solubility

In vitro
Batch:

DMSO : 63 mg/mL (200.4 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 18 mg/mL

Water : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
Mass value Mass unit	Concentration value Concentration unit	Volume value Volume unit	Molecular weight (g/mol)

Dilution Calculator Molecular Weight Calculator

In vivo batch selection In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	0.5% methylcellulose 1 0.2% Tween 80 Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	10.000mg/ml (31.81mM)	Taking the 1 mL working solution as an example, take 10 mg of this product, add it to 1 ml of 0.5% methylcellulose+0.2% Tween 80 clear solution, and mix evenly to make it a uniform suspension. The mixed solution should be used immediately for optimal results.

In vivo Formulation Calculator (Clear solution)

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Average weight of animals: g

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Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such
as vortex, ultrasound or hot water bath can be used to aid dissolving.

Chemical Information, Storage & Stability

Molecular Weight	314.36	Formula	C₁₆H₁₄N₂O₃S	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	181695-72-7	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	N/A			Smiles	CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N

Mechanism of Action

Features	Valdecoxib is more potent in inhibiting COX-2 than COX-1.
Targets/IC₅₀/Ki	COX-2 5 nM
In vitro	Valdecoxib inhibits LPS-induced PGE₂ production in plasma with IC50 of 0.89 μM for assessment of the extent of COX-2 inhibition. This compound inhibits TxB₂ production in plasma with IC50 of 25.4 μM for assessment of the extent of COX-1 inhibition. It binds to COX-2 with Ka of 1.1×10⁵ M/s. The overall saturation binding affinity for COX-2 of this chemical is 2.6 nM. It 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 K_D of 3.2 nM. The binding of this compound 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 (t_1/2 of 98 min). The percent of dissolved this chemical 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.
In vivo	Valdecoxib administrated orally inhibits rat carrageenan foot pad edema with ED50 of 10.2 mg/kg. This compound administrated orally shows chronic antiinflammatory activity with ED50 of 0.032 mg/kg/day in rat adjuvant arthritis model. It shows blockade of prostaglandin production at the inflammatory site with ED50 of 0.02 mg/kg in the rat carrageenan air pouch model. This chemical 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. It 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. This compound (5 mg/kg, po) results in AUC in plasma of 3.58 μgh/mL and 2.08 μgh/mL in males and female mice, respectively. It (5 mg/kg, po) results in AUC red blood cells of 12.1 μgh/mL and 6.42 μgh/mL in males and female mice, respectively.
References	[1] https://pubmed.ncbi.nlm.nih.gov/10715145/ [2] https://pubmed.ncbi.nlm.nih.gov/15494548/ [3] https://pubmed.ncbi.nlm.nih.gov/12644588/ [4] https://pubmed.ncbi.nlm.nih.gov/15848054/ [5] https://pubmed.ncbi.nlm.nih.gov/12642477/

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT00122096	Completed	Neurosurgery\|Pain	University of Washington\|Pfizer	November 2002	Phase 4

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Valdecoxib COX inhibitor

Chemical Structure

Molecular Weight: 314.36