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Product Description
Mechanism of Action
Ivacaftor (ID 27907) demonstrates a multi‑axis biochemical interference profile spanning catalytic‑domain perturbation, mitochondrial‑network recalibration, ion‑flux redistribution, membrane‑potential modulation, cytoskeletal remodelling, redox‑equilibrium restructuring and transcription‑factor pathway reprogramming. Its molecular architecture supports docking to catalytic residues, allosteric control nodes, transmembrane helices, nucleotide‑binding sites, redox‑buffer matrices and polymeric scaffold proteins. This enables system‑wide 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 PI3K–AKT survival‑pathway geometry, reconfiguration of G‑protein coupling logic, reshaping of Ca²⁺ microdomain behaviour, alteration of IP₃/DAG cascade topology and amplitude recalibration within the cAMP–PKA axis. Mitochondrial influences include ETC‑complex rebalancing, ATP/ADP flux modelling shifts, ROS‑threshold displacement, mitochondrial‑membrane potential polarity adjustments and cross‑organelle stress‑signal propagation between ER and mitochondrial systems.
Advanced Research Applications
- Kinome‑level catalytic‑cascade interference mapping
- High‑precision ligand docking & conformational‑transition simulations
- UPR/ER‑stress, mitophagy & autophagic‑flux network modelling
- Multi‑omics integration (RNA‑seq, proteomics, metabolomics, phosphoproteomics)
- Cytoskeletal mechanics, force‑distribution profiling & polymer turnover
- Cell‑fate modelling across apoptosis, necroptosis, ferroptosis & parthanatos
- SAR/QSAR optimisation with machine‑learning‑based compound performance modelling
Toxicodynamics & Hazard Spectrum
- Rapid ROS accumulation & antioxidant‑buffer collapse
- Mitochondrial fragmentation or ETC suppression
- Severe Na⁺/K⁺/Ca²⁺ ion‑flux destabilisation
- Cytoskeletal depolymerisation & membrane‑integrity failure
- Hyperactivation of NF‑κB, STAT & IRF inflammatory regulators
- Induction of multi‑axis programmed‑cell‑death pathways
- Epigenetic drift including methylation/acetylation instability
For expert laboratory research only — not intended for biological use.
Datasheet
| Molecular Formula | C24H28N2O5 |
|---|---|
| Molecular Weight | 392.5 g/mol |
| CAS Number | 873054-44-5 |
| Storage Condition | Store in a cool, dry place. Keep container tightly closed. Protect from moisture and light. |
| Solubility | low (<0.05 µg/mL) |
| Purity | Purity information is available upon request (COA). |
| Synonym | Ivacaftor; 873054-44-5; VX-770; Kalydeco; N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| IUPAC/Chemical Name | N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide |
| InChl Key | PURKAOJPTOLRMP-UHFFFAOYSA-N |
| InChl Code | InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29) |
| References |
3D Conformer.
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