Alhalaweh, Amjad published the artcileMolecular drivers of crystallization kinetics for drugs in supersaturated aqueous solutions, Recommanded Product: 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, the main research area is drug crystallization kinetics supersaturated aqueous solution; crystallization; glass; in silico modeling; physicochemical properties; precipitation; supersaturation.
In this study, we explore mol. properties of importance in solution-mediated crystallization occurring in supersaturated aqueous drug solutions Furthermore, we contrast the identified mol. properties with those of importance for crystallization occurring in the solid state. A literature data set of 54 structurally diverse compounds, for which crystallization kinetics from supersaturated aqueous solutions and in melt-quenched solids were reported, was used to identify mol. drivers for crystallization kinetics observed in solution and contrast these to those observed for solids. The compounds were divided into fast, moderate, and slow crystallizers, and in silico classification was developed using a mol. K-nearest neighbor model. The topol. equivalent of Grav3 (related to mol. size and shape) was identified as the most important mol. descriptor for solution crystallization kinetics; the larger this descriptor, the slower the crystallization Two electrotopol. descriptors (the atom-type E-state index for -Caa groups and the sum of absolute values of pi Fukui(+) indexes on C) were found to sep. the moderate and slow crystallizers in the solution The larger these descriptors, the slower the crystallization With these 3 descriptors, the computational model correctly sorted the crystallization tendencies from solutions with an overall classification accuracy of 77% (test set).
Journal of Pharmaceutical Sciences (Philadelphia, PA, United States) published new progress about Crystallization. 72509-76-3 belongs to class pyridine-derivatives, name is 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C18H19Cl2NO4, Recommanded Product: 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.