298188-18-8

Basic information

• Product Name: Benzoic acid, 2-[(2-nitroethenyl)amino]- (9CI)
• Synonyms: Benzoic acid, 2-[(2-nitroethenyl)amino]- (9CI);2-{[(1E)-2-nitroethylidene]amino}benzoic acid;MFCD09263999
• CAS NO: 298188-18-8
• Molecular Formula: C9H8N2O4
• Molecular Weight: 208.17082
• Product Categories: AMINOACID
• Mol File: 298188-18-8.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzoic acid, 2-[(2-nitroethenyl)amino]- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 2-[(2-nitroethenyl)amino]- (9CI)(298188-18-8)
• EPA Substance Registry System: Benzoic acid, 2-[(2-nitroethenyl)amino]- (9CI)(298188-18-8)

Safety Data

• Hazardous Substances Data: 298188-18-8(Hazardous Substances Data)

Upstream product

• 5653-21-4 2-nitroacetaldehyde oxime 
• 118-92-3 anthranilic acid 

Downstream Products

• 81946-31-8 3-amino-1,4-dihydroquinoline-4-one 
• 125836-07-9 3-nitro-4-(1H)-quinolone 

Relevant articles and documents

Discovery of N -(2,4-Di- tert -butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (VX-770, Ivacaftor), a potent and orally bioavailable CFTR potentiator

Quinolinone-3-carboxamide 1, a novel CFTR potentiator, was discovered using high-throughput screening in NIH-3T3 cells expressing the F508del-CFTR mutation. Extensive medicinal chemistry and iterative structure-activity relationship (SAR) studies to evaluate potency, selectivity, and pharmacokinetic properties resulted in the identification of N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (VX-770, 48, ivacaftor), an investigational drug candidate approved by the FDA for the treatment of CF patients 6 years of age and older carrying the G551D mutation.