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Product Description
Mechanism of Action
IBRUTINIB demonstrates a multiaxis biochemical interference profile spanning catalyticdomain perturbation, mitochondrialnetwork recalibration, ionflux redistribution, membranepotential modulation, cytoskeletal remodelling, redoxequilibrium restructuring and transcriptionfactor pathway reprogramming. Its molecular architecture supports docking to catalytic residues, allosteric control nodes, transmembrane helices, nucleotidebinding sites, redoxbuffer matrices and polymeric scaffold proteins. This enables systemwide modulation across metabolic, structural, genomic and electrophysiological regulatory layers.
Mechanistic effects include redistribution of phosphorylation flux across ERK/MAPK/JNK/p38 signalling axes, modulation of PI3KAKT survivalpathway geometry, reconfiguration of Gprotein coupling logic, reshaping of Ca²⁺ microdomain behaviour, alteration of IP/DAG cascade topology and amplitude recalibration within the cAMPPKA axis. Mitochondrial influences include ETCcomplex rebalancing, ATP/ADP flux modelling shifts, ROSthreshold displacement, mitochondrialmembrane potential polarity adjustments and crossorganelle stresssignal propagation between ER and mitochondrial systems.
Advanced
- Kinomelevel catalyticcascade interference mapping
- Highprecision ligand docking & conformationaltransition simulations
- UPR/ERstress, mitophagy & autophagicflux network modelling
- Multiomics integration (RNAseq, proteomics, metabolomics, phosphoproteomics)
- Cytoskeletal mechanics, forcedistribution profiling & polymer turnover
- Cellfate modelling across apoptosis, necroptosis, ferroptosis & parthanatos
- SAR/QSAR optimisation with machinelearningbased compound performance modelling
Toxicodynamics & Hazard Spectrum
- Rapid ROS accumulation & antioxidantbuffer collapse
- Mitochondrial fragmentation or ETC suppression
- Severe Na⁺/K⁺/Ca²⁺ ionflux destabilisation
- Cytoskeletal depolymerisation & membrane-integrity failure
- Hyperactivation of NF-κB, STAT & IRF inflammatory regulators
- Induction of multiaxis programmed-cell-death pathways
- Epigenetic drift including methylation/acetylation instability
For expert laboratory research only not intended for biological use.
Only GMP materials will be supplied, logistics all according to GDP.
Datasheet
| Molecular Formula | C25H24N6O2 |
|---|---|
| Molecular Weight | 440.5 g/mol |
| CAS Number | 936563-96-1 |
| Storage Condition | Conditions for safe storage, including any incompatibilities: Keep container tightly sealed in cool, well-ventilated area. Keep away from direct sunlight and sources of ignition. Recommended storage temperature: Store at -20 °C. |
| Solubility | Solubility depends on solvent and conditions (e.g., pH). Please contact us for solvent-specific guidance. |
| Purity | Purity information is available upon request (COA). |
| Synonym | Ibrutinib; 936563-96-1; PCI-32765; IMBRUVICA; PCI 32765 |
| IUPAC/Chemical Name | 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one |
| InChl Key | XYFPWWZEPKGCCK-GOSISDBHSA-N |
| InChl Code | InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 |
| References |
3D Conformer.
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