Room-Temperature Accessible Stereospecific Synthesis of Methyl-(Z)-2-(7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)acetates:Cd Fluorescence Probe and DU145 Cell Study.

Stereospecific synthesis of Methyl-(Z)-2-(7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)acetates 3(a-t) is designed and explored their application as fluorescent probes for Cd ions for the first time. These analogs are synthesized via one-pot reaction of (R/S)-2-thioxo-3,4-dihydropyrimidine-5-carboxanilides (TDHPM-5-carboxanilides) with dimethyl acetylenedicarboxylate in MeOH (methanol) as a reusable green solvent at room temperature (RT). Two new C(sp)N, C(sp)S sigma bonds, and one new C-N π-bond are formed during this transformation, achieving yields of up to 99%.

Ethanol-mediated one-pot synthesis of 3-phenyl-3,4,5,12-tetrahydrobenzo[4,5]imidazo[2,1-b]quinazolin-1(2H)-ones as PDGFRA inhibitors.

Establishing novel kinase inhibitors with anticancer properties are key milestones in medicinal chemistry. To this end, the current work reports a new method for the synthesis of novel 3-phenyl-3,4,5,12-tetrahydrobenzo[4,5]imidazo[2,1-b]quinazolin-1(2H)-ones with compound 4p exhibiting potent activity against type III receptor tyrosine kinase PDGFRA. These analogues were designed and prepared through a one-pot three-component reaction of 2-aminobenzimidazole with aryl-/heteryl-aldehydes and 5-phenyl-cyclohexane-1,3-dione in ethanol as a green and reusable solvent at reflux temperature.

Insights into the synthesis and structural properties of pro-chiral 2-acetyl--aryl-2-(prop-2-yn-1-yl)pent-4-ynamides/-2-allyl-4-enamide derivatives through kinetics and energy frameworks.

In this study, we successfully synthesized a series of pro-chiral 2-acetyl--aryl-2-(prop-2-yn-1-yl)pent-4-ynamide/-2-allyl-4-enamide derivatives 5(a-n) starting from 4-enamide--(prop-2-yn-1-yl)pent-4-ynamide/--allyl-4-enamide 4 through a bimolecular nucleophilic substitution (S2) reaction. We report, for the first time, a novel C-C bond formation between allyl and acetoacetanilide derivatives, supported by detailed mechanistic analysis involving alkyne interactions. The reaction mechanism, characterized by a nucleophilic attack at the substrate's carbon center leading to displacement of the leaving group, was validated through intrinsic reaction coordinate (IRC) analysis, providing deeper insights into its pathway and dynamics.

QSAR, Antimicrobial, and Antiproliferative Study of (/)-2-Thioxo-3,4-dihydropyrimidine-5-carboxanilides.

Owing to the significant contribution of three-dimensional (3D) field-based QSAR toward hit optimization and accurately predicting the activities of small molecules, herein, the 3D-QSAR, in vitro antimicrobial, molecular docking, and pharmacophore modeling studies of all the isolated (/)-2-thioxo-DHPM-5-carboxanilides exhibiting antimicrobial activity were carried out. The screening process was performed using 46 compounds, and the best-scoring model with the top statistical values was considered for bacterial and fungal targets and . As a result of 3D-QSAR analysis, compound -()- and -()-isomers were found to be more potent compared to the standard drugs tetracycline and fluconazole, respectively.

Alkoxy-functionalised dihydropyrimido[4,5-]quinolinones enabling anti-proliferative and anti-invasive agents.

In this communication, we explored the synthesis of novel alkoxy-functionalised dihydropyrimido[4,5-]quinolinones using a microwave-assisted multicomponent reaction. All the synthesized molecules were screened for anti-proliferative and anti-invasive activity against glioblastoma cells. 5c shows the most potent anti-proliferative activity with a half maximal effective concentration of less than 3 μM against primary patient-derived glioblastoma cells.

Click-chemistry mediated synthesis of OTBN-1,2,3-Triazole derivatives exhibiting STK33 inhibition with diverse anti-cancer activities.

There is a continuous and pressing need to establish new brain-penetrant bioactive compounds with anti-cancer properties. To this end, a new series of 4'-((4-substituted-4,5-dihydro-1H-1,2,3-triazol-1-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile (OTBN-1,2,3-triazole) derivatives were synthesized by click chemistry. The series of bioactive compounds were designed and synthesized from diverse alkynes and N-OTBN, using copper (II) acetate monohydrate in aqueous dimethylformamide at room temperature.

A green bio-organic catalyst (taurine) promoted one-pot synthesis of (/)-2-thioxo-3,4-dihydropyrimidine(TDHPM)-5-carboxanilides: chiral investigations using circular dichroism and validation by computational approaches.

Owing to the massive importance of dihydropyrimidine (DHPMs) scaffolds in the pharmaceutical industry and other areas, we developed an effective and sustainable one-pot reaction protocol for the synthesis of (/)-2-thioxo-DHPM-5-carboxanilides the Biginelli-type cyclo-condensation reaction of aryl aldehydes, thiourea and various acetoacetanilide derivatives in ethanol at 100 °C. In this protocol, taurine was used as a green and reusable bio-organic catalyst. Twenty-three novel derivatives of (/)-TDHPM-5-carboxanilides and their structures were confirmed by various spectroscopy techniques.