DEUTAVACAFTOR
Deutavacaftor is a deuterated CFTR modulator enhancing chloride transport in cystic fibrosis when combined with other correctors/potentiators. Benefits include improved lung function and sweat chloride reduction. Side effects include rash, elevated liver enzymes, headache, and upper respiratory symptoms.
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Product Description
Mechanism of Action
DEUTAVACAFTOR (ID 33237) exhibits a high-dimensional biochemical activity profile integrating catalytic‑domain modulation, multi‑axis signalling disruption, mitochondrial‑network recalibration, ion‑flux redistribution, redox‑state restructuring, cytoskeletal remodelling, membrane‑electrochemical modulation and transcription‑factor pathway reprogramming. Its molecular architecture supports high‑affinity interaction with catalytic residues, allosteric regulators, hydrophobic receptor pockets, transmembrane helices, nucleotide‑binding pockets, redox‑buffer matrices and polymeric scaffolding complexes—granting broad mechanistic influence across metabolic, genomic, electrophysiological and structural systems.
DEUTAVACAFTOR may reorganise phosphorylation‑flow geometry across ERK/MAPK/JNK/p38 cascades, alter PI3K–AKT survival signalling, shift G‑protein coupling patterns, redistribute Ca²⁺ microdomains, reshape IP₃/DAG signalling topology, and recalibrate cAMP–PKA amplitude dynamics. Mitochondrial impacts include ETC‑complex activation shifts, ATP/ADP turnover modulation, ROS‑threshold displacement, mitochondrial‑membrane potential polarity changes and ER–mitochondrial stress‑signal coupling, making the compound highly valuable for mechanistic and translational research models.
Advanced Research Applications
- Kinome‑scale catalytic‑cascade mapping and interference modelling
- Ultra‑resolution ligand docking and conformational‑transition analysis
- UPR/ER‑stress, mitophagy, autophagy and oxidative‑stress cross‑network characterisation
- Multi‑omics system reconstruction (RNA‑seq, metabolomics, proteomics, phosphoproteomics)
- Cytoskeletal mechanics and polymer‑turnover modelling
- Cell‑fate mapping across apoptosis, necroptosis, ferroptosis, pyroptosis and parthanatos
- Machine‑learning driven SAR/QSAR molecular‑performance prediction
Toxicodynamics & Cellular Hazard Spectrum
- ROS hyper‑accumulation and antioxidant‑system collapse
- Mitochondrial fragmentation, ETC shutdown or hyper‑leak states
- Severe Na⁺/K⁺/Ca²⁺ ionic‑flux dysregulation
- Cytoskeletal depolymerisation and membrane‑integrity failure
- NF‑κB, STAT and IRF inflammatory‑axis hyperactivation
- Engagement of multi‑axis programmed‑cell‑death pathways
- Epigenetic drift including methylation and acetylation imbalance
For expert laboratory research only — not intended for biological or therapeutic exposure.
Datasheet
| Molecular Formula | C18H16D2F2N2O3 |
|---|---|
| Molecular Weight | 366.4 g/mol |
| CAS Number | 2222473-06-3 |
| Storage Condition | Store at 28°C |
| Solubility | Soluble in water |
| Purity | Purity information is available upon request (COA). |
| IUPAC/Chemical Name | (R)-2-(2,4-difluorophenyl)-2-(1,1-dideuteriocyclopropylamino)acetamide |
| InChl Key | Unavailable |
| InChl Code | Unavailable |
| References | PubChem; ChemBL; FDA; |
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