Unexpected synthesis, single-crystal x-ray structure, anticancer activity, and molecular docking studies of certain 2-((imidazole/benzimidazol-2-yl)thio)-1-arylethanones was written by Al-Warhi, Tarfah;Said, Mohamed A.;Hassab, Mahmoud A. El;Aljaeed, Nada;Ghabour, Hazem A.;Almahli, Hadia;Eldehna, Wagdy M.;Abdel-Aziz, Hatem A.. And the article was included in Crystals in 2020.Category: esters-buliding-blocks This article mentions the following:
Herein a new unexpected synthetic route to obtain a series of 2-((imidazole/benzimidazol-2-yl)thio)1-arylethanones I (R = R1 = H, (CH)4; Ar = C6H5, 4-MeOC6H4, thien-2-yl)endowed with promising anti-breast cancer and Cyclin-dependent kinase 2 (CDK2) inhibitory activities is described. Contrary to expectations, products for the reaction of 2-mercaptoimidazole/benzimidazole with β-keto esters II were unambiguously assigned as I based on NMR spectroscopy and single-crystal X-ray crystallog. analyses. In vitro anticancer activities of I were assessed through a cell-based assay against human breast cancer T4-7D and MCF-7 cell lines. Benzimidazoles exerted better anti-proliferative action towards T4-7D and MCF-7 cell lines than their corresponding imidazole counterparts. Furthermore, a mol. docking study suggested CDK2 kinase as a potential enzymic target for benzimidazoles, and investigated their possible binding pattern and interactions within CDK2 active site. Thereafter, benzimidazoles were in vitro examined for their CDK2 inhibitory action, where they exerted good activity. Finally, several key ADME and druglikeness properties were predicted by the SwissADME online tool. Interestingly, benzimidazoles were found to have no violations in all druglikeness rules. In addition, they had neither PAINS nor structural alerts (Brenks). In conclusion, benzimidazoles also an acceptable ADME and physicochem. properties especially I (R = R1 = (CH)4; Ar = 4-MeOC6H4). In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8Category: esters-buliding-blocks).
Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Category: esters-buliding-blocks
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics