2D Structure
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2D chemical structural formula diagram.
3D Structure
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This 3D model represents a theoretically simulated conformation and is for reference only.
Check the
VX-445 (Elexacaftor)
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide | |
|---|---|---|
| CAS Number | 2216712-66-0 | |
| Molecular Formula |
C26H34F3N7O4S |
|
| Molecular Weight (MW) | 597.65 | |
| SMILES | CC1CC(N(C1)C2=C(C=CC(=N2)N3C=CC(=N3)OCC(C)(C)C(F)(F)F)C(=O)NS(=O)(=O)C4=CN(N=C4C)C)(C)C | |
| InChIKey | MVRHVFSOIWFBTE-INIZCTEOSA-N |
|
Concentration
Volume
Mass
|
|---|
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
100 mg/mL
(167.32 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Water | Insoluble |
| Ethanol | Insoluble |
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
- Preheat media/saline to 37°C.
- Mix rapidly (pipette/vortex) upon addition.
- For complex mixes, always add the aqueous phase last.
- Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).
- VX-445 (Elexacaftor) Clinical Trials
- VX-445 (Elexacaftor) Solubility in DMSO
- VX-445 (Elexacaftor) Stock Solution
- VX-445 (Elexacaftor) Storage
- VX-445 (Elexacaftor) Stability
- VX-445 (Elexacaftor) Molecular Weight
- VX-445 (Elexacaftor) SMILES
- VX-445 (Elexacaftor) CAS Number
- VX-445 (Elexacaftor) SDS|MSDS
Note: Technical data last updated: Sep 1, 2026.