In this paper, we present the phospholipidosis-inducing potential (PLIP) of forty fragment-sized diamines derived from N-benzyl-4-(methylamino)piperidine and discuss the relationship between their PLIP and the physicochemical properties. Our results demonstrate that the previously reported methods are not suitable for predicting the PLIP of fragment-sized diamines; the second basic pKa can distinguish PLIP-positive diamines from PLIP-negative diamines more accurately than ClogP or most basic pKa. To the best of our knowledge, this is the first report describing the relationship between PLIP and second basic pKa.

中文翻译：

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第二个基本pKa：在预测二胺的磷脂酰化诱导潜力中被忽略的参数。

在本文中，我们介绍了N-苄基-4-（甲基氨基）哌啶衍生的四十个片段大小的二胺的磷脂诱导电位（PLIP），并讨论了它们的PLIP与理化性质之间的关系。我们的结果表明，先前报道的方法不适用于预测片段大小的二胺的PLIP；第二个碱性pKa可以比ClogP或大多数碱性pKa更准确地将PLIP阳性二胺与PLIP阴性二胺区分开。据我们所知，这是第一份描述PLIP与第二种基本pKa之间关系的报告。