Study on Typical Diarylurea Drugs or Derivatives in Cocrystallizing with Strong H-Bond Acceptor DMSO
Chengwei Li, Jialiang Zhong, Baohu Liu, Tao Yang, Binhua Lv, Youfu Luo
Abstract
·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 analysis and computational energy calculation. Cumulative data implied that the planarization of two aryl planes in diarylureas may play a crucial role in cocrystallization. Also, a polymorph study bridged the transformation between these ureas and their DMSO complexes.
Topics & Concepts
ChemistrySupramolecular chemistryDimethyl sulfoxideSorafenibMoleculeHydrogen bondArylAcceptorCrystallographyCombinatorial chemistryMedicinal chemistryStereochemistryComputational chemistryCrystal structureOrganic chemistryCancer researchBiologyCondensed matter physicsHepatocellular carcinomaAlkylPhysicsCrystallography and molecular interactionsCrystal structures of chemical compoundsStructural and Chemical Analysis of Organic and Inorganic Compounds