Since benzo [ b ] thiophene scaffold is one of the privileged structures in drug discovery as this core exhibitsactivities for different biological problems, in this study bis (benzo[ b ]thiophene-2-yl) alkyl methanimine derivatives (1-9) were synthesized by reacting benzo[ b ]thiophene-2-carbaldehyde with diamines. All newly compounds were characterized by IR, 1H NMR and 13C NMR spectroscopic methods. Synthesized compounds were investigated using binary QSARbased models on therapeutic activity prediction of synthesized compounds and they showed high predicted activities in following diseases: bacterial, angina, allergy, depression and obesity. Thus, they were then tested for their antimicrobial and antileishmanial activities as a result of this theoretical study. Compound 1(N, N’- (propane-1,3-diyl) bis (1-(benzo [ b ] thiophene-2-yl)) methanimine) was found the most active compound in both diseases. Thus, its molecular docking studies were also carried out.
A series of symmetric bis-1,2,3-triazole compounds 2–5(a–f) were synthesized as potential antioxidant agents via click chemistry. Their structures were confirmed by 1H-NMR and 13C-NMR. All of the synthesized compounds were subjected to antioxidant and antimicrobial assays. The antioxidant activity of these compounds (AChE inhibition, DPPH and SOD activities) was evaluated. Compound 2f was found to show the highest AChE inhibition activity of all compounds, while compound 3b showed a strong inhibitory effect on DPPH radical and compound 2a was the most effective of all compounds for SOD activity. All synthesized compounds were found to possess moderate antibacterial activity against the bacteria E. coli and Y.pseudotuberculosis.
1 May 2013 in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
In this study, the synthesis of metal-free and metallophthalocyanines containing four 4-[2-(4-methoxyphenyl)ethyl]-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one substituents at the peripheral positions were reported. The structures of compounds were characterized using IR, 1H NMR, 13C NMR, mass spectroscopies, and UV-Vis. Electrochemistry of the complexes were studied with voltammetric and in situ spectroelectrochemical measurements in different electrolytic systems. MPcs having redox inactive metal centers (H+, Zn+2, Cu+2, and Ni+2) just illustrated similar Pc-based electron transfer reactions. Due to the different effective nuclear charge of the ions in the core of Pc ring, small potential shifts and reversibility differences were observed between the redox processes of these complexes. MPcs having redox-active metal centers (Co+2 and TiO+2) gave metal-based electron transfers in addition to Pc-based processes. Electrolyte type of the measurement system significantly influenced oxidation behaviors of CoPc due to the coordination of polar coordinating solvent molecules to the oxidized CoIII center of CoPc. Spectra and color of the electrogenerated MPc species were determined with in situ spectroelectrochemical measurements.
24 October 2021 in Journal of Chemical Crystallography
3-[5-(diethylamino)-2-formylphenoxy]phthalonitrile ( n-TY-CN ), metallophthalocyanines n-TY-Co , n-TY-Cu , and n-TY-Mn bearing [5-(diethylamino)-2-formylphenoxy] groups at nonperipheral positions were prepared for the first time. These compounds were characterized with IR, NMR (only for n-TY-CN ), mass and UV-vis (except n-TY-CN ) spectroscopy. Voltammetric characterizations of n-TY-Co , n-TY-Cu , and n-TY-Mn revealed that while n-TY-Co , n-TY-Cu , and n-TY-Mn showed characteristic Pc ring and/or metal-based reduction reaction, n-TY-Co , n-TY-Cu , and n-TY-Mn were coated on the working electrode during the oxidation processes owing to the cationic electropolymerizations of the [5-(diethylamino)-2-formylphenoxy] substituents.