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Product Description
Mechanism of Action
REGORAFENIB displays a highdimensional biochemical interaction profile, integrating catalyticdomain modulation, multiaxis signalling interference, mitochondrialnetwork recalibration, ionflux redistribution, membranepotential rebalancing, cytoskeletal remodelling, redoxequilibrium restructuring and transcriptionfactor pathway reprogramming. Its molecular topology supports interaction with catalytic residues, allosteric microdomains, transmembrane helices, nucleotidebinding pockets, redoxbuffer centres and polymeric scaffolding complexes, enabling wideband influence across metabolic, genomic, structural and electrophysiological layers.
At the signalling level, REGORAFENIB may reconfigure phosphorylation landscapes spanning ERK/MAPK/JNK/p38 and PI3KAKT axes, modulate Gprotein coupling states, reorganise Ca²⁺ microdomain geometry, adjust IP/DAG cascade topology, and recalibrate cAMPPKA amplitude distributions. Mitochondrial effects can include ETCcomplex rebalancing, ATP/ADP flux modulation, ROSthreshold displacement, membranepotential polarity shifts and bidirectional stresssignal integration between ER and mitochondrial compartments.
Advanced
- Kinomescale catalyticcascade interference mapping
- Highresolution docking & conformationaltransition simulations
- UPR/ERstress, mitophagy & autophagicflux network analysis
- Full multiomics integration (RNAseq, proteomics, phosphoproteomics, metabolomics)
- Cytoskeletal mechanics & polymerturnover/forcedistribution modelling
- Cellfate pathway simulations (apoptosis, necroptosis, ferroptosis, parthanatos)
- AIdriven SAR/QSAR pipelines for compoundperformance prediction
Toxicodynamics & Hazard Spectrum
- Rapid ROS escalation & antioxidantbuffer saturation
- Mitochondrial fragmentation or ETCaxis suppression
- Severe Na⁺/K⁺/Ca²⁺ ionic-flux destabilisation
- Cytoskeletal depolymerisation & membrane-integrity loss
- Hyperactivation of NF-κB, STAT & IRF inflammatory regulators
- Induction of multiaxis programmed-cell-death pathways
- Epigenetic drift including methylation/acetylation imbalance
For expert laboratory research only not intended for biological or therapeutic exposure.
Only GMP materials will be supplied, logistics all according to GDP.
Datasheet
| Molecular Formula | C21H15ClF4N4O3 |
|---|---|
| Molecular Weight | 482.8 g/mol |
| CAS Number | 755037-03-7 |
| Storage Condition | DO NOT STORE ETHION 4 EC AND 8 EC AT TEMP BELOW 0 °F AND 20 °F, RESPECTIVELY. |
| Solubility | Insoluble |
| Purity | Purity information is available upon request (COA). |
| Synonym | Regorafenib; 755037-03-7; BAY 73-4506; Stivarga; Regorafenibum |
| IUPAC/Chemical Name | 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide |
| InChl Key | FNHKPVJBJVTLMP-UHFFFAOYSA-N |
| InChl Code | InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) |
| References |
3D Conformer.
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