62457-94-7

Basic information

• Product Name: (4-chlorophenyl)(1H-imidazol-2-yl)methanone
• Synonyms: (4-Chlorophenyl)(1H-imidazol-2-yl)methanone; methanone, (4-chlorophenyl)-1H-imidazol-2-yl-
• CAS NO: 62457-94-7
• Molecular Formula: C₁₀H₇ClN₂O
• Molecular Weight: 206.6284
• Mol File: 62457-94-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 418.1°C at 760 mmHg
• Flash Point: 206.7°C
• Density: 1.368g/cm³
• Vapor Pressure: 3.36E-07mmHg at 25°C
• Refractive Index: 1.625
• CAS DataBase Reference: (4-chlorophenyl)(1H-imidazol-2-yl)methanone(CAS DataBase Reference)
• NIST Chemistry Reference: (4-chlorophenyl)(1H-imidazol-2-yl)methanone(62457-94-7)
• EPA Substance Registry System: (4-chlorophenyl)(1H-imidazol-2-yl)methanone(62457-94-7)

Safety Data

• Hazardous Substances Data: 62457-94-7(Hazardous Substances Data)

Usage

General Description

(4-chlorophenyl)(1H-imidazol-2-yl)methanone is a chemical compound with the chemical formula C10H8ClN3O. It is a synthetic organic compound that belongs to the class of imidazole derivatives. (4-chlorophenyl)(1H-imidazol-2-yl)methanone has a 4-chlorophenyl group attached to a 1H-imidazol-2-yl group through a methanone linkage. Imidazole derivatives are known for their diverse biological activities and are commonly used as pharmaceutical drugs and agrochemicals. The specific properties and uses of (4-chlorophenyl)(1H-imidazol-2-yl)methanone would depend on its individual characteristics and applications in various fields such as medicine, agriculture, and chemical research.

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Relevant articles and documents

Design, synthesis, structure-activity relationships study and X-ray crystallography of 3-substituted-indolin-2-one-5-carboxamide derivatives as PAK4 inhibitors

We have previously described the identification of indolin-2-one-5-carboxamides as potent PAK4 inhibitors. This study expands the structure-activity relationships on our original series by presenting several modifications in the lead compounds, 2 and 3. A series of novel derivatives was designed, synthesized, and evaluated in biochemical and cellular assay. Most of this series displayed nanomolar biochemical activity and potent antiproliferative activity against A549 and HCT116 cells. The representative compound 10a exhibited excellent enzyme inhibition (PAK4 IC50 = 25 nM) and cellular potency (A549 IC50 = 0.58 μM, HCT116 IC50 = 0.095 μM). An X-ray structure of compound 10a bound to PAK4 was obtained. Crystallographic analysis confirmed predictions from molecular modeling and helped refine SAR results. In addition, Compound 10a displayed focused multi-targeted kinase inhibition, good calculated drug-likeness properties. Further profiling of compound 10a revealed it showed weak inhibitory activity against various isoforms of human cytochrome P450.