78940-62-2

Usage

General Description

2-(3,4-dichlorophenoxy)-5-nitrobenzonitrile is a chemical compound with the molecular formula C13H6Cl2N2O3. It is a white to light yellow crystalline powder that is used as a herbicide to control a wide range of broadleaf and grassy weeds in various crops. It works by inhibiting the growth of target plants through interference with the photosynthetic process. This chemical is known to have low toxicity to humans and other non-target organisms when used according to the manufacturer's instructions. However, it is still important to handle and use 2-(3,4-dichlorophenoxy)-5-nitrobenzonitrile with caution and in accordance with proper safety guidelines to minimize any potential risks.

InChI:InChI=1/C13H6Cl2N2O3/c14-11-3-2-10(6-12(11)15)20-13-4-1-9(17(18)19)5-8(13)7-16/h1-6H

Upstream product

• 16588-02-6 4-chloro-3-cyanonitrobenzene 
• 95-77-2 3,4-dichlorophenol 
• 17417-09-3 2-fluoro-5-nitrobenzonitrile 

Downstream Products

• 99902-88-2 N-[3-cyano-4-(3,4-dichlorophenoxy)phenyl]acetamide 
• 99902-87-1 5-amino-2-(3,4-dichlorophenoxy)benzonitrile 

Relevant academic research and scientific papers

Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2

Lipoprotein-associated phospholipase A2 (Lp-PLA2) is a promising therapeutic target for atherosclerosis, Alzheimer's disease, and diabetic macular edema. Here we report the identification of novel sulfonamide scaffold Lp-PLA2 inhibitors derived from a relatively weak fragment. Similarity searching on this fragment followed by molecular docking leads to the discovery of a micromolar inhibitor with a 300-fold potency improvement. Subsequently, by the application of a structure-guided design strategy, a successful hit-to-lead optimization was achieved and a number of Lp-PLA2 inhibitors with single-digit nanomolar potency were obtained. After preliminary evaluation of the properties of drug-likeness in vitro and in vivo, compound 37 stands out from this congeneric series of inhibitors for good inhibitory activity and favorable oral bioavailability in male Sprague-Dawley rats, providing a quality candidate for further development. The present study thus clearly demonstrates the power and advantage of integrally employing fragment screening, crystal structures determination, virtual screening, and medicinal chemistry in an efficient lead discovery project, providing a good example for structure-based drug design.

Synthesis and anti-CVB 3 evaluation of substituted 5-nitro-2-phenoxybenzonitriles

The synthesis and SAR of a series of 60 substituted 2-phenoxy-5-nitrobenzonitriles (analogues of MDL-860) as inhibitors of enterovirus replication (in particular of coxsackievirus B3 (CVB 3)) are reported. Several of the analogues inhibited CVB 3 and othe

Substituted benzonitriles having antiviral activity

Substituted benzonitriles having antiviral activity are disclosed. Methods of use based on the antiviral activity of the compounds are also disclosed, as well as compositions which comprise a carrier in combination with a suitable antiviral active compoun