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Product Description
Mechanism of Action
APREPITANT demonstrates a highgranularity biochemical interaction profile spanning catalyticdomain modulation, multilayer signalling interference, mitochondrialnetwork recalibration, redoxstate restructuring, ionflux redistribution, membraneelectrochemical modulation, cytoskeletalarchitecture remodelling and transcriptionfactor axis reprogramming. Its molecular topology supports interactions with catalytic residues, allosteric regulatory surfaces, transmembrane helices, hydrophobic receptor pockets, nucleotidebinding cavities, redox-buffer modules and polymeric scaffolding proteinsenabling broad influence across metabolic, genomic, electrophysiological and structural regulatory networks.
Mechanistically, APREPITANT may reshape phosphorylationflow geometry across ERK/MAPK/JNK/p38 cascades, modulate PI3KAKT survivalpathway architecture, alter Gprotein coupling logic, redistribute Ca²⁺ microdomains, shift IP/DAG signal amplitude, and recalibrate cAMPPKA oscillatory behaviour. Mitochondrial effects include ETCcomplex rebalancing, ATP/ADP flux modulation, ROSthreshold displacement, mitochondrialmembrane potential polarity shifts and ERmitochondria bidirectional stresssignal integration.
Advanced
- Kinomescale catalyticcascade interference and pathway reconstruction
- Ultraresolution receptor/ligand docking and conformationaltransition modelling
- UPR/ERstress, mitophagy, autophagy and oxidativestress crosstalk research
- Deep multiomics network reconstruction (RNAseq, metabolomics, proteomics, phosphoproteomics)
- Cytoskeletal tensionmapping, polymer turnover and mechanosignalling analytics
- Apoptosis, necroptosis, ferroptosis, pyroptosis and parthanatos modelling
- Machinelearning SAR/QSAR pipelines for predictive molecular optimisation
Toxicodynamics & Hazard Spectrum
- Rapid ROS accumulation and antioxidantbuffer system collapse
- Mitochondrial fragmentation, membranepotential failure or ETC inhibition
- Severe Na⁺/K⁺/Ca²⁺ ionhomeostasis disruption
- Cytoskeletal depolymerisation, actin/tubulin instability and loss of cellular mechanics
- membrane-integrity failure and lipidbilayer thinning
- NF-κB, STAT and IRF inflammatoryaxis hyperactivation
- Engagement of multiaxis programmed-cell-death pathways
- Epigenetic drift across methylation/acetylation domains
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 | C23H21F7N4O3 |
|---|---|
| Molecular Weight | 534.4 g/mol |
| CAS Number | 170729-80-3 |
| Storage Condition | Store in a cool, dry place. Keep container tightly closed. Protect from moisture and light. |
| Solubility | Practically insoluble |
| Purity | Purity information is available upon request (COA). |
| Synonym | Aprepitant; 170729-80-3; MK-869; MK-0869; Aponvie |
| IUPAC/Chemical Name | 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one |
| InChl Key | ATALOFNDEOCMKK-OITMNORJSA-N |
| InChl Code | InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1 |
| References |
3D Conformer.
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