Li, Chengwei published the artcileStudy on Typical Diarylurea Drugs or Derivatives in Cocrystallizing with Strong H-Bond Acceptor DMSO, Name: Methyl 4-chloropicolinate, the main research area is diarylurea drug derivative cocrystn DMSO.
Diarylureas are widely used in self-assembly and supramol. chem. owing to their outstanding characteristics as both H-bond donors and acceptors. Unfortunately, this bonding property is rarely applied in the development of urea-containing drugs. Herein, seven related DMSO complexes were screened from 12 substrates involving sorafenib and regorafenib, mainly considering the substitution effect following a robust procedure. All complexes were structurally confirmed by spectroscopic means and thermal anal. Specially, five cocrystals with three deuterated, named sorafenib·DMSO, donafenib·DMSO, deuregorafenib·DMSO, 6·DMSO, and 7·DMSO were obtained. The crystal structures revealed that all host mols. consistently bonded with DMSO in intermol. interaction in a 1:1 stoichiometry. However, further comparison with documented DMSO complexes and parent motifs presented some arrangement diversities especially for 6·DMSO which offered a counter-example to previous rules. Major changes in the orientation of meta-substituents and the packing stability for sorafenib·DMSO and deuregorafenib·DMSO were rationalized by theory anal. and computational energy calculation Cumulative data implied that the planarization of two aryl planes in diarylureas may play a crucial role in cocrystn. Also, a polymorph study bridged the transformation between these ureas and their DMSO complexes.
ACS Omega published new progress about Cocrystallization. 24484-93-3 belongs to class pyridine-derivatives, name is Methyl 4-chloropicolinate, and the molecular formula is C7H6ClNO2, Name: Methyl 4-chloropicolinate.