Capacchi Silvia, Lipreri Milco, Rizzi Andrea, Caló Claudia, Peveri Tiziana, Catinella Silvia
Chiesi Farmaceutici s.p.a, Analytical Chemistry Department, Via S. Leonardo 96, 43100 Parma, Italy.
Magn Reson Chem. 2009 Jul;47(7):551-61. doi: 10.1002/mrc.2427.
Two diastereoisomers CHF4226.01 (R, R) and CHF4232.01 (S, R), differing for a chiral center, have been studied to investigate their possible discrimination using NMR. 1D NMR and 2D NMR experiments, such as COSY, NOESY and ROESY, were performed on pure isomers and on the association complexes formed in the presence of the chiral reagent (S)-(-)-1-(2-napthyl)ethylamine (S-NEA). Moreover, computational studies, concerning conformational analysis and molecular dynamics, were started and supported the NMR results.
研究了两种因一个手性中心不同而产生的非对映异构体CHF4226.01（R，R）和CHF4232.01（S，R），以探讨能否利用核磁共振（NMR）对它们进行区分。对纯异构体以及在手性试剂（S）-（-）-1-（2-萘基）乙胺（S-NEA）存在下形成的缔合配合物进行了一维NMR和二维NMR实验，如COSY、NOESY和ROESY。此外，还开展了有关构象分析和分子动力学的计算研究，这些研究结果支持了NMR实验结果。
