VALDECOXIB
Valdecoxib is a COX2 selective NSAID used for pain and inflammation. Withdrawn due to cardiovascular and skin reaction risks. Side effects include edema, hypertension, GI upset, and serious allergic reactions. Only GMP materials will be supplied, logistics all according to GDP.
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Product Description
Mechanism of Action
VALDECOXIB exhibits a highdimensional biochemical interaction matrix spanning signallingaxis disruption, catalyticdomain modulation, mitochondrialnetwork recalibration, ionflux redistribution, cytoskeletalarchitecture remodelling, membranepotential rebalancing and transcriptionfactor pathway restructuring. Its molecular topology supports interaction with catalytic residues, allosteric regulators, transmembrane helices, nucleotidebinding pockets, redoxbuffer modules and polymeric scaffolding complexes, enabling wideband influence across metabolic, structural, genomic and electrophysiological domains.
Mechanistically, VALDECOXIB may reshape phosphorylation maps across ERK/MAPK/JNK/p38 axes, alter PI3KAKT survivalbias, modulate Gprotein coupling geometry, redistribute Ca²⁺ microdomain waveforms, adjust IP/DAG signalling topology and recalibrate cAMPPKA amplitude. Mitochondrial impacts include ETCcomplex rebalancing, ATP/ADP cycle modulation, ROSthreshold displacement, mitochondrial membranepotential polarity shifts and crossorganelle stress signalling.
HighPrecision
- Kinomescale interference & catalyticcascade modelling
- Highresolution docking & conformationalflow prediction
- UPR/ERstress & autophagy/mitophagy integration networks
- Full multiomics reconstruction (RNAseq, proteomics, phosphoproteomics, metabolomics)
- Cytoskeletal forcemapping & polymer turnover dynamics
- Cellfate modelling: apoptosis, necroptosis, ferroptosis, parthanatos
- AIdriven SAR/QSAR predictive simulation
Toxicodynamics & Cellular Hazard Spectrum
- Excessive ROS accumulation & antioxidantbuffer collapse
- Mitochondrial fragmentation or ETC suppression
- Hyperdisruption of Na⁺/K⁺/Ca²⁺ ionicgradients
- Cytoskeletal degradation & membrane-integrity failure
- Inflammatory masterswitch activation (NF-κB/STAT/IRF)
- Multiaxis programmed-cell-death induction
- Epigenetic drift across methylation & acetylation layers
For expert laboratory research only not intended for biological use.
Only GMP materials will be supplied, logistics all according to GDP.
Datasheet
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.4 g/mol |
| CAS Number | 181695-72-7 |
| Storage Condition | Store in a cool, dry place. Keep container tightly closed. Protect from moisture and light. |
| Solubility | Soluble in methanol and ethanol; freely soluble in organic solvents and alkaline (pH=12) aqueous solution |
| Purity | Purity information is available upon request (COA). |
| Synonym | Valdecoxib; 181695-72-7; Bextra; 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide; Valdyn |
| IUPAC/Chemical Name | 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide |
| InChl Key | LNPDTQAFDNKSHK-UHFFFAOYSA-N |
| InChl Code | InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) |
| References |
3D Conformer.
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