Synthesis and Biological Activity of Functionally Substituted Pyrimidine and Pyran Derivatives on the Basis of Isatylidene Malononitriles was written by Naghiyev, Farid;Mamedov, Ibrahim;Askerov, Rizvan;Taslimi, Parham;Poustforoosh, Alireza. And the article was included in ChemistrySelect in 2022.Product Details of 638-07-3 The following contents are mentioned in the article:
In this study, it was shown that pyrimidine and imidazopyridine derivatives were obtained from the multicomponent reaction of isatylidene malononitriles with malononitrile and diamines at room temperature Also, the interaction of 2-(5-bromo-2-oxoindoline-3-ylidene)with malononitrile and benzoyl acetone (or ethyl-4-chlorine-acetoacetate) was carried out and the formation of the corresponding pyran derivatives was observed The acetylcholinesterase (AChE) inhibitor compounds recorded as important therapeutic drugs for the therapy of Alzheimer’s disease. Also, novel complexes effectively inhibited AChE enzyme, with Ki values in the range of 4.56 to 8.21μM. For this enzyme, it was obtained with IC50 values in the range of 4.04 to 9.85μM. For α-glycosidase enzyme the most effective Ki values were for I and II compounds with Ki values of 31.48 and 32.63μM, resp. The mol. docking study was employed to investigate of chem. activities and interaction of synthesized compounds with low Ki in the presence of AChE, butyrylcholinesterase, and α-Glycosidase. The results revealed that some of the compounds, like compound III have a good binding affinity to AChE with a docking score of -6.243 (kcal/mol). This compound can affect the enzyme activity by attachment to essential residues of the catalytic domain of the enzyme. The ADME/T anal. was also performed and revealed that compounds have the potential to be utilized as medicine. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Product Details of 638-07-3).
Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Product Details of 638-07-3
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics