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Product Description
Mechanism of Action
REGORAFENIB (ID 30165) displays a high‑dimensional biochemical interaction profile, integrating catalytic‑domain modulation, multi‑axis signalling interference, mitochondrial‑network recalibration, ion‑flux redistribution, membrane‑potential rebalancing, cytoskeletal remodelling, redox‑equilibrium restructuring and transcription‑factor pathway reprogramming. Its molecular topology supports interaction with catalytic residues, allosteric microdomains, transmembrane helices, nucleotide‑binding pockets, redox‑buffer centres and polymeric scaffolding complexes, enabling wide‑band influence across metabolic, genomic, structural and electrophysiological layers.
At the signalling level, REGORAFENIB may reconfigure phosphorylation landscapes spanning ERK/MAPK/JNK/p38 and PI3K–AKT axes, modulate G‑protein coupling states, reorganise Ca²⁺ microdomain geometry, adjust IP₃/DAG cascade topology, and recalibrate cAMP–PKA amplitude distributions. Mitochondrial effects can include ETC‑complex rebalancing, ATP/ADP flux modulation, ROS‑threshold displacement, membrane‑potential polarity shifts and bidirectional stress‑signal integration between ER and mitochondrial compartments.
Advanced Research Applications
- Kinome‑scale catalytic‑cascade interference mapping
- High‑resolution docking & conformational‑transition simulations
- UPR/ER‑stress, mitophagy & autophagic‑flux network analysis
- Full multi‑omics integration (RNA‑seq, proteomics, phosphoproteomics, metabolomics)
- Cytoskeletal mechanics & polymer‑turnover/force‑distribution modelling
- Cell‑fate pathway simulations (apoptosis, necroptosis, ferroptosis, parthanatos)
- AI‑driven SAR/QSAR pipelines for compound‑performance prediction
Toxicodynamics & Hazard Spectrum
- Rapid ROS escalation & antioxidant‑buffer saturation
- Mitochondrial fragmentation or ETC‑axis suppression
- Severe Na⁺/K⁺/Ca²⁺ ionic‑flux destabilisation
- Cytoskeletal depolymerisation & membrane‑integrity loss
- Hyperactivation of NF‑κB, STAT & IRF inflammatory regulators
- Induction of multi‑axis programmed‑cell‑death pathways
- Epigenetic drift including methylation/acetylation imbalance
For expert laboratory research only — not intended for biological or therapeutic exposure.
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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