37906-39-1

Basic information

• Product Name: 1-(3,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL)ETHANONE
• Synonyms: 1-(3,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL)ETHANONE
• CAS NO: 37906-39-1
• Molecular Formula: C₁₁H₈Cl₂N₂O
• Molecular Weight: 255.1
• Mol File: 37906-39-1.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 478.6°C at 760 mmHg
• Flash Point: 243.2°C
• Appearance: /
• Density: 1.38g/cm³
• Vapor Pressure: 2.55E-09mmHg at 25°C
• Refractive Index: 1.626
• CAS DataBase Reference: 1-(3,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL)ETHANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL)ETHANONE(37906-39-1)
• EPA Substance Registry System: 1-(3,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL)ETHANONE(37906-39-1)

Safety Data

• Hazardous Substances Data: 37906-39-1(Hazardous Substances Data)

Usage

General Description

1-(3,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone is a chemical compound with the molecular formula C11H8Cl2N2O. It is a ketone derivative of imidazole, and it contains two chlorine atoms attached to a phenyl group. This chemical compound is used in the synthesis of pharmaceutical drugs and in research applications. It has been studied for its potential biological activity and is known to exhibit antifungal and antimicrobial properties. Additionally, it has been investigated as a potential inhibitor of enzymes and as a building block for the synthesis of other organic compounds. Overall, 1-(3,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone has various potential applications in the field of medicinal chemistry and chemical research.

InChI:InChI=1/C11H8Cl2N2O/c12-9-2-1-8(5-10(9)13)11(16)6-15-4-3-14-7-15/h1-5,7H,6H2

Upstream product

• 60-29-7 diethyl ether 
• 2632-10-2 2-bromo-1-(3,4-dichlorophenyl)ethanone 
• 288-32-4 1H-imidazole 
• 2642-63-9 3',4'-dichloroacetophenone 

Downstream Products

• 1037732-88-9 VUF 10132 
• 27523-05-3 1-(3,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol 
• 119393-52-1 N-<1-(3,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethylidene>methanamine N-oxide 

Relevant articles and documents

Novel BuChE-IDO1 inhibitors from sertaconazole: Virtual screening, chemical optimization and molecular modeling studies

In our effort towards the identification of novel BuChE-IDO1 dual-targeted inhibitor for the treatment of Alzheimer's disease (AD), sertaconazole was identified through a combination of structure-based virtual screening followed by MM-GBSA rescoring. Preliminary chemical optimization was performed to develop more potent and selective sertaconazole analogues. In consideration of the selectivity and the inhibitory activity against target proteins, compounds 5c and 5d were selected for the next study. Further modification of compound 5c led to the generation of compound 10g with notably improved selectivity towards BuChE versus AChE. The present study provided us with a good starting point to further design potent and selective BuChE-IDO1 inhibitors, which may benefit the treatment of late stage AD.

Mutant type IDH inhibitors, preparation method thereof, and pharmaceutical composition containg the same as an active ingredient

The present invention is a mutated IDH1 inhibitor. The present invention relates to a compound represented by chemical formula 1, a stereoisomer thereof, or a pharmaceutically acceptable salt thereof according to the present invention, which has excellent inhibitory activity against mutated IDH1 and can reduce intracellular tumor-induced metabolite (2-HG), and a health functional food composition for preventing or IDH1 treating cancer, comprising the same as an active ingredient.

Detailed analysis and follow-up studies of a high-throughput screening for indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors

Indoleamine 2,3-dioxygenase 1 (IDO1) is a key regulator of immune responses and therefore an important therapeutic target for the treatment of diseases that involve pathological immune escape, such as cancer. Here, we describe a robust and sensitive high-throughput screen (HTS) for IDO1 inhibitors using the Prestwick Chemical Library of 1200 FDA-approved drugs and the Maybridge HitFinder Collection of 14,000 small molecules. Of the 60 hits selected for follow-up studies, 14 displayed IC50 values below 20 μM under the secondary assay conditions, and 4 showed an activity in cellular tests. In view of the high attrition rate we used both experimental and computational techniques to identify and to characterize compounds inhibiting IDO1 through unspecific inhibition mechanisms such as chemical reactivity, redox cycling, or aggregation. One specific IDO1 inhibitor scaffold, the imidazole antifungal agents, was chosen for rational structure-based lead optimization, which led to more soluble and smaller compounds with micromolar activity.