CDK2 inhibitors: rationally directed discovery of a novel potent lead derived from cyclohepta[]thieno[2,3-]pyridine.

CDK2 has emerged as a pivotal target in cancer chemotherapy. To develop a novel CDK2 inhibitor scaffold, multiple rational, structure-based design strategies were applied to known potent CDK2 inhibitors. Through retrosynthetic planning, chemical synthesis, and characterisation, compounds 2-8 were generated.

Rise of Ketone α-Hydrolysis: Revisiting SAcyl, E1cB Mechanisms and Carbon-Based Leaving Groups in One Reaction for Drug-Targeting Applications.

Nucleophilic substitution of carbon-leaving groups (CLGs) and base-catalyzed alcohol dehydration reactions are rare in the organic chemistry literature. Herein, we introduce an unprecedented example of a novel reaction that challenges the poor leaving group abilities of both CLGs and hydroxide ions via a concerted transition state, demonstrating E1cB step-2/SAcyl step-1 reaction mechanism interference, displayed by and scaffolds in an alkaline medium (Schemes 5,8). The work offers swift access to C-C bond hydrolysis in the form of ketone α-hydrolytic cleavage under environmentally convenient conditions.

Pyridine Derivatives as Insecticides─Part 4: Synthesis, Crystal Structure, and Insecticidal Activity of Some New Thienylpyridines, Thienylthieno[2,3-]pyridines, and Related Heterocyclic Derivatives.

The reaction of ethyl 5-cyano-2-methyl-4-(thiophen-2-yl)-6-thioxo-1,6-dihydropyridine-3-carboxylate () with 2-chloroacetamide or its -aryl derivatives gave ethyl 6-((2-amino-2-oxoethyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl) nicotinate () or its -aryl derivatives -, respectively. Cyclization of - into their isomers - was carried out by heating in absolute ethanol in the presence of a catalytic amount of sodium ethoxide. The -aminoamide was reacted with some aryl aldehydes in refluxing ethanol containing a few drops of conc.

Insight into crystal structures and identification of potential styrylthieno[2,3-]pyridine-2-carboxamidederivatives against COVID-19 Mpro through structure-guided modeling and simulation approach.

Anti-SARS-CoV-2 drugs are urgently needed to prevent the pandemic and for immunization. Their protease inhibitor treatment for COVID-19 has been used in clinical trials. In Calu-3 and THP1 cells, 3CL SARS-CoV-2 Mpro protease is required for viral expression, replication, and the activation of the cytokines IL-1, IL-6, and TNF-.

Crystal structure and Hirshfeld surface analysis of 5-acetyl-3-amino-6-methyl--phenyl-4-[()-2-phenyl-ethen-yl]thieno[2,3-]pyridine-2-carbox-amide.

The asymmetric unit of the title compound, CHNOS, comprises four mol-ecules. Their conformations differ primarily in the orientations of the styryl and the -phenyl-carboxamido groups. In the crystal, inter-molecular N-H⋯N, C-H⋯O and C-H⋯S hydrogen-bonding contacts as well a C-H⋯π(ring) inter-actions lead to the formation of a layer structure parallel to (010).