Design, synthesis, and AChE inhibitory activity of new benzothiazole-piperazines was written by Demir Ozkay, Umide;Can, Ozgur Devrim;Saglik, Begum Nurpelin;Acar Cevik, Ulviye;Levent, Serkan;Ozkay, Yusuf;Ilgin, Sinem;Atli, Ozlem. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2016.Computed Properties of C9H10N2O2S This article mentions the following:
In the current study, 14 new benzothiazole-piperazine compounds were designed to meet the structural requirements of acetylcholine esterase (AChE) inhibitors. The target compounds were synthesized in three steps. Structures of the newly synthesized compounds (7–20) were confirmed using IR, 1H NMR, 13C NMR, and HRMS methods. The inhibitory potential of the compounds on AChE (E.C.3.1.1.7, from elec. eel) was then investigated. Among the compounds, two compounds, 19 and 20 showed very good activity on AChE enzyme. Kinetics studies were performed to observe the effects of the most active compounds on the substrate-enzyme relationship. Cytotoxicity studies, genotoxicity studies, and theor. calculation of pharmacokinetics properties were also carried out. The compounds 19 and 20 were found to be nontoxic in both of the toxicity assays. A good pharmacokinetics profile was predicted for the synthesized compounds Mol. docking studies were performed for the most active compounds, 19 and 20, and interaction modes with enzyme active sites were determined Docking studies indicated a strong interaction between the active sites of AChE enzyme and the analyzed compounds In the experiment, the researchers used many compounds, for example, 5,6-Dimethoxybenzo[d]thiazol-2-amine (cas: 6294-52-6Computed Properties of C9H10N2O2S).
5,6-Dimethoxybenzo[d]thiazol-2-amine (cas: 6294-52-6) belongs to thiazole derivatives. Thiazole rings are planar and aromatic. Thiazoles are characterized by larger pi-electron delocalization than the corresponding oxazoles and have therefore greater aromaticity. Thiazole sulfonation occurs only under forcing conditions: the action of oleum at 250 °C for 3 hours in the presence of mercury(II) sulfate leads to 65% formation of 5-thiazole sulfonic acid.Computed Properties of C9H10N2O2S
Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica