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将液相色谱/定量结构-性质关系方法扩展到评估中性、酸性、碱性和两性药物的亲脂性。

Extension of the liquid chromatography/quantitative structure-property relationship method to assess the lipophilicity of neutral, acidic, basic and amphotheric drugs.

机构信息

Departament de Química Analítica and Institut de Biomedicina-IBUB, Universitat de Barcelona, Martí i Franquès 1-11, 08028 Barcelona, Spain.

出版信息

J Chromatogr A. 2012 Jun 1;1240:113-22. doi: 10.1016/j.chroma.2012.03.089. Epub 2012 Apr 5.

DOI:10.1016/j.chroma.2012.03.089
PMID:22537604
Abstract

A reported chromatographic method to determine the 1-octanol/water partition coefficient (logP(o/w)) has been used to estimate the lipophilicity of 33 drugs with diverse structures and functionalities, including neutral, acid, basic, and amphoteric compounds. The applicability of the chromatographic method has been extended to the UHPLC technique, and the results obtained were compared to those obtained from conventional HPLC. No significant difference between the results obtained by both techniques is noticed. Thus, the suitability of UHPLC, which involves shorter run times, for lipophilicity assessment is demonstrated. In order to show the consistency of this chromatographic method, the logP(o/w) values of those drugs which have acid-base properties have been also determined by potentiometry, and the final results have been compared with both values derived from the chromatographic method and the ones from the literature.

摘要

已报道的一种色谱方法可用于测定 1-辛醇/水分配系数(logP(o/w)),我们用该方法来评估 33 种具有不同结构和功能的药物的亲脂性,这些药物包括中性、酸性、碱性和两性化合物。该色谱方法的适用性已扩展到 UHPLC 技术,并且比较了从常规 HPLC 获得的结果。这两种技术得到的结果没有明显差异。因此,证明了 UHPLC (其运行时间更短)适用于亲脂性评估。为了表明该色谱方法的一致性,我们还通过电位法测定了具有酸碱性质的那些药物的 logP(o/w) 值,并将最终结果与色谱法和文献中的值进行了比较。

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