16156-92-6

Basic information

• Product Name: 2-methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole
• Synonyms: 2-Methyl-5-nitro-1-(2-phenoxy-ethyl)-1H-imidazole
• CAS NO: 16156-92-6
• Molecular Formula: C₁₂H₁₃N₃O₃
• Molecular Weight: 247.2499
• Mol File: 16156-92-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 458.1°C at 760 mmHg
• Flash Point: 230.8°C
• Density: 1.26g/cm³
• Vapor Pressure: 3.86E-08mmHg at 25°C
• Refractive Index: 1.597
• CAS DataBase Reference: 2-methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole(CAS DataBase Reference)
• NIST Chemistry Reference: 2-methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole(16156-92-6)
• EPA Substance Registry System: 2-methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole(16156-92-6)

Safety Data

• Hazardous Substances Data: 16156-92-6(Hazardous Substances Data)

Upstream product

• 443-48-1 metronidazole 
• 30575-42-9 toluene-4-sulfonic acid 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester 
• 108-95-2 phenol 

Relevant articles and documents

Metronidazole aryloxy, carboxy and azole derivatives: Synthesis, anti-tumor activity, QSAR, molecular docking and dynamics studies

A series of novel metronidazole aryloxy, carboxy and azole derivatives has been synthesized and their cytotoxic activities on three cancer cell lines were evaluated by MTT assay. Compounds 4m, 4l and 4d showed the most potent cytotoxic activity (IC50s less than 100 μg/mL). Apoptosis was also detected for these compounds by flow cytometry. Docking studies were performed in order to propose the probable target protein. In the next step, molecular dynamics simulation was carried out on the proposed target protein, focal adhesion kinase (FAK, PDB code: 2ETM), bound to compound 4m. As, 4m showed a potent cytotoxic activity and an acceptable apoptotic effect, it can be a potential anticancer candidate that may work through inhibition of FAK.