ROFECOXIB
Rofecoxib is a selective COX2 inhibitor providing antiinflammatory and analgesic effects. It was withdrawn in many countries due to cardiovascular risk. Side effects include hypertension, edema, GI discomfort, and increased thrombotic risk. Only GMP materials will be supplied, logistics all according to GDP.
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Product Description
Mechanism of Action
ROFECOXIB engages in multilayer biochemical interactions affecting enzyme cascades, receptorregulated signalling, oxidativestress systems, mitochondrial respiration, ionchannel dynamics, cytoskeletal mechanics and transcriptionfactor pathway coordination. Molecularmodelling parameters suggest potential interactions with catalytic centres, allosteric microdomains, transmembrane receptor helices, cofactorbinding regions, and structural scaffolding proteins. These interactions enable modulation of phosphorylation cycles, secondmessenger amplification (Ca²⁺, cAMP, IP, DAG), ATP turnover, mitochondrial membrane potential and ROS balancing capacity.
Benefits and Applications
- Receptorligand affinity mapping and molecular docking
- Enzymekinetic pathway modelling and catalyticflux analysis
- Mitochondrial bioenergetics profiling and redoxstate research
- Multiomics studies (transcriptomics, metabolomics, proteomics)
- Cytoskeletal architecture analysis and membranedynamics modelling
- Apoptosis, necroptosis, autophagy and ferroptosis pathway assays
- SAR and QSARdriven molecular optimisation
- Pharmacodynamic and mechanistic doseresponse modelling
Risks & Side Effects
- Oxidative imbalance and ROS escalation
- Mitochondrial overload or suppression of respiratory complexes
- Ionchannel destabilisation (Na⁺/K⁺/Ca²⁺)
- Unintended receptor crosstalk
- Cytoskeletal destabilisation
- Dosedependent cytotoxicity or programmed-cell-death activation
- Inflammatory transcriptional activation (NF-κB, JNK, MAPK)
Only GMP materials will be supplied, logistics all according to GDP.
Datasheet
| Molecular Formula | C17H14O4S |
|---|---|
| Molecular Weight | 314.4 g/mol |
| CAS Number | 162011-90-7 |
| Storage Condition | Store in a cool, dry place. Keep container tightly closed. Protect from moisture and light. |
| Solubility | Insoluble |
| Purity | Purity information is available upon request (COA). |
| Synonym | rofecoxib; 162011-90-7; Vioxx; Ceoxx; 4-(4-(Methylsulfonyl)phenyl)-3-phenylfuran-2(5H)-one |
| IUPAC/Chemical Name | 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one |
| InChl Key | RZJQGNCSTQAWON-UHFFFAOYSA-N |
| InChl Code | InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| References |
3D Conformer.
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