一种使用¹⁹F核磁共振光谱法测定亲脂性（logP）的新的简便方法。
A New Straightforward Method for Lipophilicity (logP) Measurement using 19F NMR Spectroscopy.
作者信息
Wang Zhong, Jeffries Benjamin F, Felstead Hannah R, Wells Neil J, Chiarparin Elisabetta, Linclau Bruno
机构信息
Chemistry, University of Southampton.
Medicinal Chemistry, Oncology, IMED Biotech Unit, AstraZeneca.
出版信息
J Vis Exp. 2019 Jan 30(143). doi: 10.3791/58567.
Fluorination has become an effective tool to optimize physicochemical properties of bioactive compounds. One of the applications of fluorine introduction is to modulate the lipophilicity of the compound. In our group, we are interested in the study of the impact of fluorination on lipophilicity of aliphatic fluorohydrins and fluorinated carbohydrates. These are not UV-active, resulting in a challenging lipophilicity determination. Here, we present a straightforward method for the measurement of lipophilicity of fluorinated compounds by F NMR spectroscopy. This method requires no UV-activity. Accurate solute mass, solvent and aliquot volume are also not required to be measured. Using this method, we measured the lipophilicities of a large number of fluorinated alkanols and carbohydrates.
氟化已成为优化生物活性化合物物理化学性质的有效工具。引入氟的应用之一是调节化合物的亲脂性。在我们的研究小组中，我们对氟化对脂肪族氟醇和氟化碳水化合物亲脂性的影响研究感兴趣。这些化合物没有紫外活性，这导致亲脂性测定具有挑战性。在此，我们提出一种通过氟核磁共振光谱法测量氟化化合物亲脂性的直接方法。该方法不需要紫外活性。也不需要测量准确的溶质质量、溶剂和等分试样体积。使用该方法，我们测量了大量氟化链烷醇和碳水化合物的亲脂性。
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