Refernces
10.1021/jm049022c
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.
10.1021/acs.joc.0c01516
The study focuses on the synthesis of 2,5-disubstituted thiophenes and 2-substituted benzo[b]thiophenes using the trithiocarbonate anion (CS32-) as a sulfur source. This anion was generated in situ from carbon disulfide (CS2) and potassium hydroxide (KOH) in dimethyl sulfoxide (DMSO). The purpose of these chemicals is to serve as a novel synthetic equivalent of the S2- synthon, which is used for the cyclization of 1,3-butadiynes and 2-haloalkynyl (hetero)arenes. The study aims to provide a cheap and readily available method for the synthesis of these compounds, which have applications in various fields such as biochemistry, materials chemistry, and organic synthesis. The use of CS32- allows for metal-free cyclization reactions, offering a moderate to good yield of the target compounds with good functional group tolerance.
10.1039/c39830001308
The research focused on the synthesis and X-ray crystal structure analysis of a novel binuclear cobalt complex, bis(tetrahydroborato)-bis[1,5-bis(diphenylphosphino)pentane]dicobalt(II), denoted as Co2(BH4)(Ph2P[CH2]2PPh2)2·0.5C6H6. The purpose of the study was to explore the coordination modes of the tetrahydroborate (BH4-) group, which has garnered significant interest due to its diverse coordination possibilities. The researchers used CoCl2·6H2O, NaBH4, and 1,5-bis(diphenylphosphino)pentane as reactants in a benzene-ethanol solvent under nitrogen to synthesize the complex. The X-ray crystal structure revealed an unprecedented mode of BH4- bridging coordination, involving both Co-H-BH2-H-Co linkages and direct bridging of the cobalt atoms by one hydrogen atom of each central BH2 unit. The complex was found to be air-sensitive and solvated, with the BH4- ligand acting as both tridentate and chelating to two different cobalt atoms. The study concluded with the observation of distinct infrared absorptions corresponding to different coordinated B-H vibrations, and noted the nearly coplanar arrangement of cobalt and boron atoms with a skewed orientation between the two phosphine-bridged cobalt planes. The research was funded by the Natural Sciences and Engineering Research Council of Canada, and further details on related syntheses and the influence of bidentate phosphine chain length on the formation of such structures were promised in a subsequent publication.
10.1039/d1cc01388b
The purpose of this study was to create a catalyst that could be reused multiple times without pre-activation, which is a significant advancement over traditional catalysts that often require activation and can lead to product contamination due to metal leaching. The researchers concluded that the Ti–Pd alloy catalysts were highly effective, with the ability to retain catalytic activity over multiple uses and minimal metal leaching, as confirmed by inductively coupled plasma atomic absorption spectroscopy. The chemicals used in the process included 2-phenyl ethanol, benzyl alcohol, and various primary alcohols, along with Cs2CO3 as the base and toluene as the solvent.
10.1039/c2jm32489j
The research primarily focuses on the synthesis and evaluation of a high-birefringence polymethacrylate with a diphenyl-diacetylene (DPDA) moiety in the side chain. The polymer was designed to form a nematic liquid crystal (LC) phase with a wide temperature range and exhibit high birefringence, which is crucial for applications in optical devices such as flat panel displays, optical fibers, and photostorage devices. The synthesis involved Negishi cross-coupling of an asymmetric diacetylene protected with a tert-butyldimethylsilyl (TBDMS) group and 2,2-dibromoalkene, followed by E2 reaction and deprotection with tetra-n-butylammonium fluoride (TBAF), and esterification with methacrylate chloride. Anion polymerization using n-butyllithium (n-BuLi) was employed to obtain the final polymer. The thermal properties were analyzed using differential scanning calorimetry (DSC) and polarizing optical microscopy (POM), while the optical properties, specifically the birefringence, were determined through UV-visible spectroscopy and a microscope spectroscopic method with a Nikon LV100 Pol optical microscope and a USB4000 spectrometer. The polymer showed a high birefringence of 0.3 at 550 nm at room temperature, indicating its potential for use in optical applications.
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