Synthesis, spectroscopic analyses (FT-IR and NMR), vibrational study, chemical reactivity and molecular docking study and anti-tubercular activity of condensed oxadiazole and pyrazine derivatives was written by El-Azab, Adel S.;Mary, Y. Sheena;Abdel-Aziz, Alaa A. M.;Miniyar, Pankaj B.;Armakovic, Stevan;Armakovic, Sanja J.. And the article was included in Journal of Molecular Structure in 2018.Application In Synthesis of Ethyl pyrazine-2-carboxylate This article mentions the following:
The Fourier transform IR spectra of the compounds 2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazine (PHOXPY), 2-(5-styryl-1,3,4-oxadiazol-2-yl)pyrazine (STOXPY) and 2-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)pyrazine (FUOXPY) have been recorded and the wavenumbers are computed at the d. functional theory level. The assignments of all the fundamental bands of each mol. are made using potential energy distribution. The computed values of dipole moment, polarizability and hyperpolarizability values indicate that the title mols. exhibit NLO properties. The HOMO and LUMO energies demonstrate the chem. stability of the mols. and NBO anal. is made to study the stability of mols. arising from hyper conjugative interactions and charge delocalization. Detailed computational anal. and spectroscopic characterization has been performed for three newly synthesized oxadiazole derivatives Obtained computational and exptl. results have been mutually compared in order to understand the influence of structural parts specific for each derivative From the MIC determination, MTb H37Rv was found to be sensitive to compounds, PHOXPY, STOXPY and FUOXPY. The results obtained from anti-TB activity are more promising as the compounds were found to be more potent than reference standards, streptomycin and pyrazinamide. Efforts were made in order to predict both global and local reactive properties of the title oxadiazole derivatives, including their sensitivity towards autoxidation mechanism and influence of water. The results obtained from anti-TB activity are more promising for the title compounds Interaction with representative protein Pterindeaminase inhibitor asricin A was also investigated using the mol. docking procedure. The docked ligands form stable complexes with the receptor ricin A and the docking results suggest that these compounds can be developed as new anti-cancer drugs. In the experiment, the researchers used many compounds, for example, Ethyl pyrazine-2-carboxylate (cas: 6924-68-1Application In Synthesis of Ethyl pyrazine-2-carboxylate).
Ethyl pyrazine-2-carboxylate (cas: 6924-68-1) belongs to pyrazine derivatives. Pyrazine derivatives have antitumor, antibiotic, anticonvulsant, antituberculous and diuretic effects as well as kinase, enzymatic and potent tubulin and FtsZ polymerization inhibitory activities. Substituted pyrazines have been found as subunits of multiple synthetically constructed therapeutic agents, as well as several natural products.Application In Synthesis of Ethyl pyrazine-2-carboxylate