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Ivacaftor

CAT: 0013-GTR19173715-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173715-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ivacaftor (VX-770) is a CFTR potentiator effective on G551D and F508del mutants, with EC50 values of 100 nM and 25 nM, respectively, in Fisher rat thyroid cell assays. It is a key research tool for studying CFTR channel function and rescue in cellular models of cystic fibrosis, supporting both in vitro and preclinical in vivo research.
CAS Number
873054-44-5
Product Name Alternative
Inhibit, Ivacaftor, Ivacaftor (VX-770), G551D-CFTR, F508del-CFTR, Inhibitor, Autophagy, Cystic fibrosis transmembrane conductance regulator, CFTR, VX770, VX-770, VX 770
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Purity
98.00% (May vary between batches)
Solubility
H2O:< 1 mg/mL (insoluble or slightly soluble) ; Ethanol:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:252 mg/mL (642.05 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (12.74 mM)
Smiles
C (C) (C) (C) C1=C (NC (=O) C=2C (=O) C=3C (NC2) =CC=CC3) C=C (O) C (C (C) (C) C) =C1
Molecular Formula
C24H28N2O3
Molecular Weight
392.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ivacaftor

Ivacaftor is an aromatic amide obtained by formal condensation of the carboxy group of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid with the amino group of 5-amino-2,4-di-tert-butylphenol. Used for the treatment of cystic fibrosis. It has a role as a CFTR potentiator and an orphan drug. It is a quinolone, a monocarboxylic acid amide, a member of phenols and an aromatic amide.

CAS Number873054-44-5
PubChem CID16220172
IUPAC NameN-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
Molecular FormulaC24H28N2O3
Molecular Weight392.5
XLogP5.6
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity671
SMILES
CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C
InChI
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)
InChIKey
PURKAOJPTOLRMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ivacaftor
CAS: 873054-44-5
CID: 16220172
Formula: C24H28N2O3
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP35.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass392.20999276
Monoisotopic Mass392.20999276
Topological Polar Surface Area78.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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