Synthesis and Conformational Analysis of [3-(6-Chloropyridazin-3-yl)-3,4-Dihydropyridazino[4,5-b]Quinoxalin-2(1De )-yl](Phenyl)Methanone

International audience[3-(6-Chloropyridazin-3-yl)-3,4-dihydropyridazino[4,5-b]quinoxalin-2(1H) -yl](phenyl)methanone has been synthesized and its two stable forms were isolated. For the establishment of their structures, B3LYP geometry and energy and GIAO/B3LYP NMR calculations of possible conformers using the polarizable continuum model were performed. The differences in calculated spectra allow attributing calculated structures and obtained substances by their H-1 and C-13 NMR. The conformer ratio correlates with their calculated Gibbs energies

The search of compounds with antiaggregation activity among S-esters of thiosulfonic acids

According to the current understanding, the hyperactivation of platelets may lead to increased intravascular coagulation and thrombosis. Today a relevant issue is the search for new anti-thrombotic agents that are able to modulate the activity of platelet receptors, thus, influence the processes of activation and aggregation of platelets. The aim of this study was to investigate the effects of newly synthesized thiosulfonate derivatives on platelet aggregation. The activity of the compounds was tested in vitro using platelet-rich plasma. As a result of the screening test, structural formulas of four agents with high antiaggregative activity were established. These compounds inhibited ADP- and collagen-induced platelet aggregation in a dose-dependent manner. Two of these compounds were shown to be more effective inhibitors of aggregation induced by ADP (IC50 ~ 8-10 µM), as well as collagen (IC50 ~ 1.5-2.0 µM)