Nitriles are found in many useful compounds. Nitrile rubber is also widely used as automotive and other seals since it is resistant to fuels and oils. Organic compounds containing multiple nitrile groups are known as cyanocarbons. 20099-89-2, formula is C9H6BrNO, Name is 4-(2-Bromoacetyl)benzonitrile. Nitriles are found in many useful compounds. One of the most common occurrences of nitriles is in Nitrile rubber. Product Details of C9H6BrNO.
Deshpande, Anant;Dhawale, Shashikant;Bari, Sanjaykumar;Bonde, Chandrakant research published 《 Design, synthesis and biological investigation of some novel quinazolin-4(3H)-one tethered 1,3,4-thiadiazole-thiol motifs as direct enoyl acyl carrier protein reductase inhibitors》, the research content is summarized as follows. In this study two noteworthy pharmacophores quinazolin-4(3H)-one and 1,3,4-thiadiazole through methylene bridge were utilized to design, synthesize and characterize some novel 2-Me quinazolin-4(3H)-one and 6-chloro-2-Me quinazolin-4(3H)-one tethered S-substituted-1,3,4-thiadiazole-thiol structural analogs resp. as direct Mycobacterium Tuberculosis (MTB) enoyl acyl carrier protein reductase (InhA) inhibitors. Structural analogs of quinazolin-4(3H)-one tethered 1,3,4-thiadiazole-thiol I [R = H, Cl; R1 = 4-Me, 4-F, 3-NO2, etc.] through methylene bridge by functional group modifications in core scaffold followed by computational studies to select promising compds was designed. The mol. docking of designed compunds was carried out using schrodinger Glide XP into the active site of MTB InhA with protein data bank code (PDB ID: 2H7M). The interactions were evaluated based on the glide G score compared with reference standard isoniazid. Ten new compounds I were synthesized, characterized and screened for their in-vitro antitubercular activity by Microplate Almar Blue Assay (MABA) method followed by cytotoxicity evaluation of compounds I [R = H ; R1 = 4-F, 4-OMe] using Vero cell line. All the designed compounds of series I had drug-like characteristics and were non-toxic to normal cells. In the mol. docking studies, compounds I [R = H, Cl; R1 = 4-F, 4-OMe] demonstrated strong binding affinity in the active region of MTB InhA protein and retained necessary amino acid interaction, similar to co-crystal 2H7M. Synthesized compounds I were found to have good antitubercular activity. Out of the series the compounds I [R = H ; R1 = 4-F, 4-OMe] were found to possess excellent antitubercular activity equipotent to reference standard streptomycin with min. inhibitory concentration (MIC) value of 6.25μg/mL. The cytotoxic potential of compounds I [R = H ; R1 = 4-F, 4-OMe] showed remarkable selectivity index against Vero cell line. The findings of this study highlighted the importance of tethering two pharmacophoric motifs in one compound to develop novel antitubercular agents that can be exploited as promising leads as direct InhA inhibitors.
Product Details of C9H6BrNO, 4-(2-Bromoacetyl)benzonitrile, also known as 2-Bromo-4′ -cyanoacetophenone, is a useful research compound. Its molecular formula is C9H6BrNO and its molecular weight is 224.05 g/mol. The purity is usually 95%.
2-Bromo-4′ -cyanoacetophenone can be synthesized from ethylbenzene via aerobic photooxidation using aqueous HBr.
4-(2-Bromoacetyl)benzonitrile is useful for the irreversible inhibitory activity of Glycogen synthase kinase 3 (GSK-3). Phenylhalomethylketones can be used in the study of novel GSK-3 inhibitors., 20099-89-2.
Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts