199536-12-4

Basic information

• Product Name: methyl 3-(2-aminoethyl)-5-({[(tert-butoxycarbonyl)amino][(tert-butoxycarbonyl)imino]methyl}amino)benzoate
• Synonyms: methyl 3-(2-aminoethyl)-5-({[(tert-butoxycarbonyl)amino][(tert-butoxycarbonyl)imino]methyl}amino)benzoate
• CAS NO: 199536-12-4
• Molecular Weight: 436.508
• Mol File: 199536-12-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: methyl 3-(2-aminoethyl)-5-({[(tert-butoxycarbonyl)amino][(tert-butoxycarbonyl)imino]methyl}amino)benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 3-(2-aminoethyl)-5-({[(tert-butoxycarbonyl)amino][(tert-butoxycarbonyl)imino]methyl}amino)benzoate(199536-12-4)
• EPA Substance Registry System: methyl 3-(2-aminoethyl)-5-({[(tert-butoxycarbonyl)amino][(tert-butoxycarbonyl)imino]methyl}amino)benzoate(199536-12-4)

Safety Data

• Hazardous Substances Data: 199536-12-4(Hazardous Substances Data)

Upstream product

• 1955-46-0 5-nitro-1,3-benzenedicarboxylic acid, monomethyl ester 
• 199536-10-2 methyl 3-({[(tert-butoxycarbonyl)amino][(tert-butoxycarbonyl)imino]methyl}amino)-5-(1-hydroxy-2-nitroethyl)benzoate 
• 199536-07-7 methyl 3-({[(tert-butoxycarbonyl)amino][(tert-butoxycarbonyl)imino]methyl}amino)-5-(hydroxymethyl)benzoate 
• 199536-09-9 methyl 3-({[(tert-butoxycarbonyl)amino][(tert-butoxycarbonyl)imino]methyl}amino)-5-formylbenzoate 
• 199536-04-4 3-Amino-5-hydroxymethyl-benzoic acid methyl ester; hydrochloride 
• 145013-05-4 tert-butyl N-({[(tert-butoxy)carbonyl]amino}methanethioyl)carbamate 
• 53732-08-4 3-hydroxymethyl-5-nitrobenzoic acid methyl ester 
• 1955-04-0 methyl 5-nitro-3-chloroformylbenzoate 
• 199536-11-3 methyl 3-({[(tert-butoxycarbonyl)amino][(tert-butoxycarbonyl)imino]methyl}amino)-5-(2-nitroethyl)benzoate 

Relevant articles and documents

Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design

A series of 94 benzoic acid derivatives was synthesized and tested for its ability to inhibit influenza neuraminidase. The enzyme-inhibitor complex structure was determined by X-ray crystallographic analysis for compounds which inhibited the enzyme. The most potent compound tested in vitro, 5 (4- (acetylamino)-3-guanidinobenzoic acid), had an IC50 = 2.5 x 10-6 M against N9 neuraminidase. Compound 5 was oriented in the active site of the neuraminidase in a manner that was not predicted from the reported active site binding of GANA (4) with neuraminidase. In a mouse model of influenza, 5 did not protect the mice from weight loss due to the influenza virus when dosed intranasally.