28096-55-1

Basic information

• Product Name: Benzonitrile, 4-(cyclohexylamino)-3-nitro-
• CAS NO: 28096-55-1
• Molecular Formula: C13H15N3O2
• Molecular Weight: 245.281
• Mol File: 28096-55-1.mol
• Article Data: 8

Chemical Properties

• CAS DataBase Reference: Benzonitrile, 4-(cyclohexylamino)-3-nitro-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 4-(cyclohexylamino)-3-nitro-(28096-55-1)
• EPA Substance Registry System: Benzonitrile, 4-(cyclohexylamino)-3-nitro-(28096-55-1)

Safety Data

• Hazardous Substances Data: 28096-55-1(Hazardous Substances Data)

Upstream product

• 939-80-0 4-chloro-3-nitrobenzonitrile 
• 108-91-8 cyclohexylamine 
• 1009-35-4 4-fluoro-3-nitrobenzonitrile 

Downstream Products

• 123856-34-8 3-Amino-4-(cyclohexylamino)benzonitrile 
• 841299-34-1 cyclohexyl-[2-nitro-4-(1H-tetrazol-5-yl)-phenyl]amine 

Relevant articles and documents

Synthesis, molecular docking and ADME prediction of some new benzimidazole carboxamidines derivatives as antimicrobial agents

In this study, 15 new 1H-benzimidazole-5-carboxamidine derivative compounds that could be new antimicrobial agents were synthesized and their antimicrobial activities were determined using the microdilution method. When the activity results were examined,

1 H -Benzimidazole-5-carboxamidine derivatives: Design, synthesis, molecular docking, DFT and antimicrobial studies

In this study, 15 new N-(cyclohexyl)-2-substituted-1H-benzimidazole-5-carboxamidine derivatives that could be new antimicrobial agents were synthesized and their antimicrobial activities were determined using the microdilution method. Some of the derivatives showed significant efficacy against MRSA and VREF with an MIC value of 8 μg mL-1 compared to reference drugs. Molecular docking studies of the compounds against PBP4 and active and allosteric regions of PBP2a were performed and estimated ADME profiles were calculated. The nitrogens of the amidine group of M7, one of the most effective antimicrobial compounds compared to reference drugs, formed two separate hydrogen bonds with ASP275 (1.77 ?) and ASP295 (1.83 ?) in the allosteric region of PBP2a. Geometric optimization parameters, MEP analysis, and HUMO and LUMO quantum parameters of M7 were calculated using DFT/B3LYP theory and the 6-311G(d,p) basis set and the results are displayed.

BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE

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