Purdue Interdepartmental NMR Facility, Purdue University, West Lafayette, IN 47907, United States.
Bioorg Med Chem Lett. 2010 Nov 15;20(22):6712-5. doi: 10.1016/j.bmcl.2010.08.145. Epub 2010 Sep 6.
A simple and rapid NMR method is described to determine the logP of pharmaceutical agents. This method is highly versatile and efficient, because it does not require the use of deuterated solvents or the addition of any internal/external standards to the sample. We demonstrate that logP can be accurately measured using NMR for pharmaceutical agents with known logP values. Our proposed method is made possible by the combination of state-of-the-art NMR techniques including the solvent concentration reference and robust solvent suppressions.
本文描述了一种简单、快速的 NMR 方法来测定药物的 logP。该方法具有高度通用性和高效性，因为它不需要使用氘代溶剂，也不需要向样品中添加任何内标/外标。我们证明，对于具有已知 logP 值的药物，NMR 可以准确地测量 logP。我们提出的方法是通过结合最先进的 NMR 技术，包括溶剂浓度参考和强大的溶剂抑制来实现的。
