Synthesis, spectroscopic characterization, X-ray structure, and in vivo neurotropic activity of new 1,5-benzodiazepin-2-ones

The paper reports the synthesis and in vivo pharmacological studies of a series of N-alkyl-1,5-benzodiazepine-2-ones. In this work, 19 novel benzodiazepine derivatives have been prepared and characterized by spectroscopic methods including 2D nuclear magnetic resonance techniques. Crystal structure of 1-benzyl-8-methyl-4-phenyl-1H-benzo[b][1,4]diazepin-2(3H)-one has also been determined by X-ray diffraction. Prediction of activity spectra for substances prediction and docking studies onto human serum albumin were conducted. Two compounds under these investigation showed high antihypoxic, tranquilizing, and anticonvulsant activity in vivo. © 2016, Springer Science+Business Media New York

Synthesis, spectroscopic characterization, X-ray structure, and in vivo neurotropic activity of new 1,5-benzodiazepin-2-ones

The paper reports the synthesis and in vivo pharmacological studies of a series of N-alkyl-1,5-benzodiazepine-2-ones. In this work, 19 novel benzodiazepine derivatives have been prepared and characterized by spectroscopic methods including 2D nuclear magnetic resonance techniques. Crystal structure of 1-benzyl-8-methyl-4-phenyl-1H-benzo[b][1,4]diazepin-2(3H)-one has also been determined by X-ray diffraction. Prediction of activity spectra for substances prediction and docking studies onto human serum albumin were conducted. Two compounds under these investigation showed high antihypoxic, tranquilizing, and anticonvulsant activity in vivo. © 2016, Springer Science+Business Media New York

Phosphorylated thiacalixarenes as molecular receptors for QCM sensors of volatile compounds

Sorption of volatile organic compounds and ammonia by thin solid films of phosphorylated thiacalixarenes was investigated by the quartz crystal microbalance (QCM), X-ray crystallography and molecular modeling methods The interfacial sorption depends on the number and position (upper or lower rim) of P=O groups on the macrocyclic skeleton, the electronic nature of the substituents at the phosphorus atom. At low concentrations of the analytes their sorption occurs according to the Langmuir isotherm due to specific supramolecular interactions with receptor centers of the thiacalixarenes. The analytes may form either the Host-Guest inclusion complexes stabilized by C-H...π interactions, or extracavity complexes stabilized by hydrogen bonds with oxygen atoms of the peripheral P=O groups. At high concentrations, when the thiacalixarene receptor centers are occupied by the analytes, further sorption occurs nonspecifically according to the linear Henry isotherm due to inclusion of the analytes in voids of the crystal structure of the thiacalixarenes

Doebner-type pyrazolopyridine carboxylic acids in an Ugi four-component reaction

Substituted 1H-pyrazolo[3,4-b]pyridine-4- and 1H-pyrazolo[3,4-b]pyridine-6-carboxamides have been synthetized through a Doebner-Ugi multicomponent reaction sequence in a convergent and versatile manner using diversity generation strategies: combination of two multicomponent reactions and conditions-based divergence strategy. The target products contain as pharmacophores pyrazolopyridine and peptidomimetic moieties with four points of diversity introduced from readily available starting materials including scaffold diversity. A small focused compound library of 23 Ugi products was created and screened for antibacterial activity. © 2019 Murlykina et al