Chand, Pooran published the artcileDesign and Synthesis of Benzoic Acid Derivatives as Influenza Neuraminidase Inhibitors Using Structure-Based Drug Design, Safety of Methyl 3-amino-5-cyanobenzoate, the main research area is benzoic acid derivative preparation neuraminidase inhibitor; structure activity benzoic acid neuraminidase inhibitor; crystal structure benzoic acid neuraminidase complex; influenza neuraminidase inhibitor benzoic acid preparation.
A series of 94 benzoic acid derivatives were synthesized and tested for their ability to inhibit influenza neuraminidase. The enzyme-inhibitor complex structure was determined by x-ray crystallog. anal. for compounds which inhibited the enzyme. The most potent compound tested in vitro, (4-(acetylamino)-3-guanidinobenzoic acid) (I), had an IC50 = 2.5 × 10-6 M against N9 neuraminidase. Compound I was oriented in the active site of the neuraminidase in a manner that was not predicted from the reported active site binding of GANA (II) with neuraminidase. In a mouse model of influenza, I did not protect the mice from weight loss due to the influenza virus when dosed intranasally.
Journal of Medicinal Chemistry published new progress about Structure-activity relationship (neuraminidase-inhibiting). 199536-01-1 belongs to class nitriles-buliding-blocks, name is Methyl 3-amino-5-cyanobenzoate, and the molecular formula is C9H8N2O2, Safety of Methyl 3-amino-5-cyanobenzoate.
Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts