NMR and X-ray diffraction conformational study of guanidines.
ZAMPIERI, Eduardo Henrique; ANJOS, Luana Ribeiro dos; SANTIAGO, Pedro Henrique de Oliveira; NASCIMENTO, Tainara Rosário da Silva; ELLENA, Javier; GONZÁLEZ, Eduardo René Pérez.
ZAMPIERI, Eduardo Henrique; ANJOS, Luana Ribeiro dos; SANTIAGO, Pedro Henrique de Oliveira; NASCIMENTO, Tainara Rosário da Silva; ELLENA, Javier; GONZÁLEZ, Eduardo René Pérez.
Abstract: Leishmaniasis is a neglected disease that affects regions such as South Asia, South Africa, and Latin America, less developed regions. The research proposed the conformational study of brominated guanidine compounds with potential antileishmanial activity using Nuclear Magnetic Resonance (NMR) and X-ray diffraction (XRD) techniques. The present study involves the brominated molecules LQOF-G2, LQOF-G30, LQOF-G35 and LQOF-G35-Br. The latter was synthesized by the reaction of LQOF-G35 with NBS under IR irradiation at 120 Watts of potency and dichloromethane as solvent by 12 h of exposition. The obtained results demonstrated the efficiency of the bromination method, since two bromine atoms entered the molecule. Furthermore, NMR analysis showed a conformational change from Z to E when compound LQOF-G35 was brominated to LQOF-G35-Br. This behavior was confirmed by a comparative XRD study of the LQOF-G35 and LQOF-G35-Br compounds. The antileishmanial activity of LQOF-G2 e LQOF-G35 motivated the synthesis of new brominated compounds LQOF-G30 e LQOF-G35-Br.
@article={003199063,author = {ZAMPIERI, Eduardo Henrique; ANJOS, Luana Ribeiro dos; SANTIAGO, Pedro Henrique de Oliveira; NASCIMENTO, Tainara Rosário da Silva; ELLENA, Javier; GONZÁLEZ, Eduardo René Pérez.},title={NMR and X-ray diffraction conformational study of guanidines},journal={Journal of Molecular Structure},note={v. 1315, p. 138876-1-138876-10 + supplementary materials},year={2024}}