Nitrile is any organic compound with a −C≡N functional group. 105-34-0, formula is C4H5NO2, Name is Methyl 2-cyanoacetate.The prefix cyano- is used interchangeably with the term nitrile in literature. COA of Formula: C4H5NO2.
Meena, Mahendra Kumar;Kumar, Durgesh;Jayaraj, Abhilash;Kumar, Ajay;Kumari, Kamlesh;Katata-Seru, L. M.;Bahadur, Indra;Kumar, Vinod;Sherawat, Anjali;Singh, Prashant research published 《 Designed thiazolidines: an arsenal for the inhibition of nsP3 of CHIKV using molecular docking and MD simulations》, the research content is summarized as follows. Chikungunya virus belongs to alpha virus and its infection in humans causes fever, known as chikungunya fever. It is a sudden onset of fever and may affect humans badly. The mode of transmission to human occurs due to the biting of the mosquitoes. Till date, thousands of humans are affected from this virus throughout the world. As on date, no promising medicine or vaccine is available in the market to cure from this viral infection. Therefore, there is a need of promising candidate against the nsp3 of CHIKV. In the present work, a library of the compounds are designed based on the product obtained in a multi-component reaction. Then, the designed compounds are filtered based on binding energy against the nsp3 of CHIKV obtained using mol. docking. Further, to understand the interaction of nsp3 of CHIKV and screened compound, CMPD474, the mol. dynamics MD) simulations at different temperatures, i.e., 300, 325, 350, 375, and 400 K is performed. The binding or the formation of the complex is studied through different trajectories obtained from MD simulations. The accurate information for the binding energy is determined by performing MM-GBSA calculations and the best inhibition was observed at 300 K as the change in free energy for the formation of the complex is -7.0523 kcal/mol.Communicated by Ramaswamy H. Sarma
105-34-0, Methyl cyanoacetate is an alkyl cyanoacetate ester.
Methyl cyanoacetate is the intermediate product in pharmaceutical organic synthesis as well as in the synthesis of some biologically active compounds used in agriculture. It undergoes calcite or fluorite catalyzed Knövenagel condensation with aromatic aldehydes, giving the corresponding arylidenemalononitriles and (E)-α -cyanocinnamic esters.
Methyl Cyanoacetate is often used as a nucleophile in the electrochemical oxidation of catechols. Methyl Cyanoacetate is also a reagent in the synthesis of Methyl 2-Amino-4-trifluoromethylthiophene-3-carboxylate (M287290); a compound used in the synthesis of DPP-IV inhibitors for treating type 2 diabetes., COA of Formula: C4H5NO2
Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts