ABC00785MT

Ivacaftor carboxylate

Ivacaftor carboxylate is a structurally related impurity derived from the parent drug Ivacaftor, characterized by the incorporation of a carboxylate ester moiety at the terminal cyclopropane-substituted tetrahydrofuran ring. This compound retains the core pyridine-fused chromen-4-one scaffold but features an additional oxygenated ester functionality, altering its hydrophobicity and ionization profile. The presence of a 1-azabicyclo[2.2.2]octane ring system and a meta-substituted benzene ring further defines its pharmacophoric framework. It arises as a specific synthetic byproduct during API manufacturing, serving as a critical HPLC reference standard for quantitative impurity profiling in Ivacaftor formulations.

On Request
Molecular Formula C24H26N2O5
Molecular Weight 422.5000
CAS Number 1246213-24-0 โœ“ Verified
PubChem CID 46917263 โ†—
Purity N/A
Product Type API Impurity
Parent Drug Ivacaftor
Lead Time On Request
IUPAC Name 2-[5-tert-butyl-2-hydroxy-4-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropanoic acid

๐Ÿ“ Synonyms

1246213-24-0 Ivacaftor carboxylate Ivacaftor (m6) VRT-842917 38WUF8D79H Benzeneacetic acid, 4-(((1,4-dihydro-4-oxo-3-quinolinyl)carbonyl)amino)-5-(1,1-dimethylethyl)-2-hydroxy-alpha,alpha-dimethyl- Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]amino]-5-(1,1-dimethylethyl)-2-hydroxy-alpha,alpha-dimethyl- RefChem:1087878 Ivacaftor Carboxylic Acid 2-(5-(tert-Butyl)-2-hydroxy-4-(4-oxo-1,4-dihydroquinoline-3-carboxamido)phenyl)-2-methylpropanoic acid

๐Ÿ”ฌ Chemical Identifiers

CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C(=O)O
InChI=1S/C24H26N2O5/c1-23(2,3)15-10-16(24(4,5)22(30)31)19(27)11-18(15)26-21(29)14-12-25-17-9-7-6-8-13(17)20(14)28/h6-12,27H,1-5H3,(H,25,28)(H,26,29)(H,30,31)
JYPYTFLCNPMVBC-UHFFFAOYSA-N

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