317384-07-9Relevant academic research and scientific papers
Design, synthesis, characterization, molecular docking and computational studies of 3-phenyl-2-thioxoimidazolidin-4-one derivatives
Elancheran, R.,Kabilan, S.,Krishnasamy, K.,Manikandan, V.,Vanitha, U.
, (2021/08/09)
Breast cancer is the most widely recognized intrusive disease in women and the second leading cause of cancer death worldwide. Thiohydantoins possess wide and interesting pharmacological properties such as antitumor agents, anticonvulsants, antidepressants, antiviral, antithrombotic activities, etc. 3-phenyl-2-thioxoimidazolidin-4-one derivatives were synthesized and thoroughly characterized by FT-IR, 1H NMR, 13C NMR spectroscopic techniques. The structures of the compounds (5a-c) were further confirmed by single-crystal XRD analysis. Molecular docking studies were utilized to foresee the binding interactions of 3-phenyl-2-thioxoimidazolidin-4-one derivatives with the Estrogen Receptor (3ERT) and evaluated their ADME properties for finding the lead compound. Receptor-ligand docking studies were executed using Schr?dinger software. Computational studies such as Density Functional Theory and Hirshfeld surface analysis were used to identify the electronic states and molecular parameters of the compounds (5a-c). Further, in vitro and in vivo anticancer activities of these compounds will be evaluated in future.
A simple stereoselective synthesis of aplysinopsin analogs
Selic, Lovro,Jakse, Renata,Lampic, Kristina,Golic, Ljubo,Golic-Grdadolnik, Simona,Stanovnik, Branko
, p. 2802 - 2811 (2007/10/03)
Simple and stereoselective syntheses of aplysinopsins and their analogs from either methyl 2-[(2,2-disubstituted ethenyl)amino]-3-(dimethylamino)prop-2-enoates 11 or 5-[(dimethylamino)methylidene]imidazolidine-2,4-diones 20 are described. The structures of products are established by 1H- and 13C-NMR, and NOESY spectroscopy, and X-ray crystal-structure analysis.
A convenient synthesis of glycosylated hydantoins as potential antiviral agents
Khodair, Ahmed I.
, p. 9 - 26 (2007/10/03)
Reaction of 5-arylidene-2-thiohydantoins 3a-d with glycosyl halides 4a,b under alkaline conditions gave the respective bisglycosylated derivatives 5a-h. Deacetylation with ammonia in methanol caused a change of the S-glycosyl residue and gave the N-3 glyc
