The research focuses on the efficient one-pot synthesis of 2-oxazoline derivatives, which are significant in pharmaceutical and material science due to their presence in biologically active compounds and use as intermediates in organic synthesis. The study presents a method utilizing molecular iodine as a catalyst and potassium carbonate in tert-Butyl alcohol (t-BuOH) under ultrasound irradiation at 35–40°C for the condensation of aldehydes with 2-aminoethanol. The reaction's efficiency is optimized by varying the amounts of molecular iodine and 2-aminoethanol, the reaction temperature, and the solvent. The experiments involve monitoring the reaction through thin-layer chromatography (TLC) and characterizing the products using melting points, optical rotations, and spectroscopic techniques such as 1H NMR, 13C NMR, and mass spectrometry. The results show that the method yields moderate to good results with a simple work-up procedure, offering a mild and practical approach to 2-oxazoline synthesis.
The research focuses on the synthesis and study of molecular and inner complex compounds of dioxomolybdenum(VI) with disubstituted salicylidenemonoethanolimines. The reactants used in the study include molybdenum dioxide, which was reduced to form dioxomolybdenum(VI), and disubstituted salicylidenemonoethanolimines derived from 3,5-dibromo- and 3-methoxy-5-bromosalicylaldehyde and monoethanolamine. The synthesis involved two approaches: direct reaction to form molecular compounds (MC) and ligand exchange to form inner complex compounds (ICC). The molecular compounds were found to be amorphous powders, soluble in methanol to form conductive solutions, while the inner complex compounds formed structured crystals. Elemental analysis was conducted to determine the composition of the synthesized compounds, and IR spectroscopy was used to study the structure and bonding of the complexes. X-ray diffraction analysis was also performed to determine the crystal structure of one of the complexes, revealing an octahedral coordination environment around the molybdenum atom. The study concludes that both MC and ICC exhibit octahedral structures with the ligands coordinated in different forms and positions relative to the molybdenum atom.
The research focuses on the discovery, synthesis, and characterization of novel furanopyrimidine and pyrrolopyrimidine inhibitors targeting the Chk1 kinase, a significant enzyme in cancer cell cycle regulation. The study combines computational modeling with experimental validation to optimize inhibitor design. Reactants used in the synthesis include commercially available starting compounds and aminofuran derivatives, which undergo a series of chemical transformations involving condensation, cyclization, chlorination, and displacement reactions to produce the desired inhibitors. 5,6-Diphenylfurano[2,3-d]pyrimidin-4-ylamine, ethanolamine, N-methylethanolamine, glycine, 2-phenylethanol, (2-aminoethyl)-carbamic acid tert-butyl ester and O-methylethanolamine were used as starting materials. The synthesized compounds are then crystallographically analyzed to determine their binding mode to the Chk1 kinase. Experiments include X-ray crystallography to resolve the protein-inhibitor complex structures, kinetic assays to measure inhibitor potency, and molecular modeling to predict binding modes and optimize compound affinity. The research also explores the impact of hydrogen bonding on protein-ligand interactions and binding affinity through structural and thermodynamic analysis.
The research focuses on the synthesis, structure-activity relationships (SARs), and pharmacokinetic profiles of nonpeptidic r-keto heterocycles as novel inhibitors of human chymase, a chymotrypsin-like serine protease with potential roles in cardiovascular diseases and inflammatory conditions. The study hypothesizes that a pyrimidinone scaffold combined with heterocycles as P1 carbonyl-activating groups can effectively inhibit chymase, leading to the design and synthesis of various 5-amino-6-oxo-1,6-dihydropyrimidine derivatives with different heterocycles. The compounds were evaluated for their in vitro inhibitory activity against human heart chymase and other proteases using spectrophotometric assays monitoring the release of p-nitroaniline from synthetic substrates. The most potent compound, 2r (Y-40079), was further subjected to pharmacokinetic studies in rats, assessing its absorption, bioavailability, and metabolic stability. The experiments involved various reactants such as acetone cyanohydrin, HCl, monoethanolamine, and palladium-carbon for synthesis, and employed techniques like NMR, MS, and elemental analysis for compound characterization. The inhibitory constants (Ki), association rate constants (kon), and dissociation constants (koff) were determined through progress curve analysis and nonlinear regression. The research aimed to develop a potent, selective, and metabolically stable nonpeptidic chymase inhibitor, which could serve as a therapeutic agent or a tool for understanding chymase-related pathophysiology.
The research focuses on the synthesis and antifungal activity of nine new fluorine-containing phenylimino-thiazolidines derivatives. The purpose of this study was to modify and simplify the structure of trehazolin, a compound with known antifungal properties, to find a more commercially viable compound. The researchers designed and synthesized these derivatives based on the structure features of trehazolin, incorporating fluorine due to its unique properties such as high thermal stability and lipophilicity, which can enhance agricultural bioactivities. The antifungal activities of these compounds were screened against Phytophthoza capsici L., Pyriculazia ozyzae C., Fusazium spp., and Rhizoctonia solani at a concentration of 100 ppm. The results showed that while most compounds had lower antifungal activities compared to a series of N,N'-diphenylcarboamimidothioates, compounds 3f and 3g, particularly 3f, exhibited high toxicity against the test fungi. The study concluded that the fungicidal activities depended on the position of the fluorine on the aryl rings and the substituent on the five-member heterocycle, with the introduction of fluorine into the para position of the aryl rings and increasing hydrophilicity of the group on the five-member heterocycle enhancing the bioactivity. Key chemicals used in the synthesis process included aryl isothiocyanates, substituted aminoethanol, and hydrochloric acid, among others.
