CAS No. 1413431-07-8

Batch: Purity:99.56
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Deutivacaftor (VX-561, Ivacaftor-D9) Chemical Structure
Chemical Structure
Check the Deutivacaftor (VX-561, Ivacaftor-D9) product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name N-[2-tert-butyl-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CAS Number 1413431-07-8
Molecular Formula

C24H19D9N2O3
Molecular Weight (MW) 401.55
InChIKey PURKAOJPTOLRMP-ASMGOKTBSA-N

Biological Activity

Deutivacaftor (VX- is a potent cystic fibrosis transmembrane conductance regulator (CFTR) modulator that acts as a CFTR channel potentiator. Potentiation of gating-deficient CFTR channels increases transepithelial chloride ion transport across plasma membranes. Precision deuteration significantly reduces cytochrome P450-mediated oxidative metabolism, demonstrating large kinetic isotope effects (DV = 3.8) and providing markedly enhanced metabolic stability while maintaining in vitro potentiator efficacy. [1]

How to Prepare Stock Solution?

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Solubility

Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
Solvent Solubility & Note
DMSO 80 mg/mL (199.22 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Ethanol 4 mg/mL
Water Insoluble
FAQ
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).

Reference

[1] Harbeson SL, et al. J Pharmacol Exp Ther. 2017;362(2):359-367.

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Note: Technical data last updated: Sep 1, 2026.