Substituent effects on carboxylation step of allyllic substrates was explored with DFT calculations. The electron-donating group (EDG) on allyl α-C can effectively lower the energy barrier. Multiple linear regression indicated that the carboxylat...
Synthesis, Reactivity, and Anticancer Activity Evaluation of 4‐Amino‐3‐Mercapto‐6‐Methyl‐1,2,4‐Triazin‐5(4H)‐One Derivatives
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An efficient synthesis of 4-amino-3-mercapto-6-methyl-1,2,4-triazin-5(4H)-one derivatives and investigation as potential anticancer agents are reported. Characterization of the obtained compounds is established utilizing IR,13C NMR, 1H NMR, and single crystal X-ray. In vitro anticancer effects of compounds are evaluated by MTT assay. Findings reveal that some compounds can be of significance as anticancer drug candidates for future research.
1,2,4-Triazine and its derivatives occupy a fundamental position in the field of medicinal chemistry because of their diverse biological applications, such as anticancer. To search for promising anticancer agents, a new series of 4-amino-3-mercapto-6-methyl-1,2,4-triazin-5(4H)-one derivatives was prepared. Straightforward synthetic methodologies were employed, such as condensation, cyclization, hydrazinolysis, alkylation, and condensation-addition reactions. All of the new compounds were characterized by a combination of spectral data and elemental analysis. The molecular structures of several compounds on a single crystal X-ray provided confirmation. The anticancer activity was evaluated against three cancer cell lines, which are hepatocellular carcinoma (HEPG-2), colorectal carcinoma (HCT-116) and mammary gland breast cancer (MCF-7). The results revealed that a representative number of compounds have potent cytotoxicity against HEPG-2, HCT-116 and MCF-7 cell lines with IC50 values ranging from 6.71 to 31.25 μg/mL.Zum Volltext
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