Differentiation of puerarin chelate from salt by phase solubility test.

IF 3.7 3区 医学 Q2 CHEMISTRY, MEDICINAL Journal of pharmaceutical sciences Pub Date : 2024-10-16 DOI:10.1016/j.xphs.2024.10.007
Yuanfeng Wei, Xin Chen, Runxue Ding, Jingwen Zhang, Hui Chen, Junxiao Zhu, Jianjun Zhang, Peiya Shen
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Abstract

Different from salt, metal chelate is a novel state of drug constructed by more separate coordinate bonds to form a chelating circle. Due to their composition similarity, it is hard to distinguish them except identifying ionic bond (i.e., salt) or coordinate bond (i.e., chelate) in the single crystal structure. In this study, sodium chelate (CDCC No: 1865670) and lithium salt (CDCC No: 2161617) of puerarin (PUE) was prepared. In addition to difference in single crystal structure, it was found that they showed totally different phase solubility behaviors: lithium salt demonstrated a typical inverse proportion curve as other common salts, while sodium chelate exhibited disordered scatters. However, when incorporating the unit PUE-Na complex in solution state and complexation constant K11 in chemical equation, the scatters in phase solubility diagram of chelate could be well fitted and the value of K11 was dramatically higher with orders of magnitude than the dissociation constant Kc; while processing phase solubility curve of lithium salt by incorporating complex item, it could not well match the curve at all. PUE sodium chelate is more likely to be a weak electrolyte with partial dissociation, while PUE lithium salt acted as a strong electrolyte with complete dissociation. The phase solubility test would be served as a surrogate tool for differentiation of chelates from salts when single crystal was not available.

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通过相溶性测试区分葛根素螯合物和盐类
与盐不同,金属螯合物是由多个独立的配位键构成螯合圈的一种新型药物状态。由于它们的成分相似,除了在单晶结构中识别离子键(即盐)或坐标键(即螯合物)外,很难将它们区分开来。本研究制备了葛根素的钠螯合物(CDCC 编号:1865670)和锂盐(CDCC 编号:2161617)。除了单晶结构的差异外,研究还发现它们表现出完全不同的相溶解行为:锂盐与其他常见盐类一样表现出典型的反比例曲线,而螯合钠则表现出无序的散射。然而,当在溶液状态下加入单位 PUE-Na 复合物并在化学方程式中加入络合常数 K11 时,螯合物相溶解度图中的散点可以很好地拟合,且 K11 的值显著高于解离常数 Kc 的数量级;而通过加入络合物项处理锂盐的相溶解度曲线,则完全不能很好地匹配曲线。PUE 钠螯合物更可能是部分解离的弱电解质,而 PUE 锂盐则是完全解离的强电解质。在没有单晶的情况下,相溶解度测试可作为区分螯合物和盐的替代工具。
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来源期刊
CiteScore
7.30
自引率
13.20%
发文量
367
审稿时长
33 days
期刊介绍: The Journal of Pharmaceutical Sciences will publish original research papers, original research notes, invited topical reviews (including Minireviews), and editorial commentary and news. The area of focus shall be concepts in basic pharmaceutical science and such topics as chemical processing of pharmaceuticals, including crystallization, lyophilization, chemical stability of drugs, pharmacokinetics, biopharmaceutics, pharmacodynamics, pro-drug developments, metabolic disposition of bioactive agents, dosage form design, protein-peptide chemistry and biotechnology specifically as these relate to pharmaceutical technology, and targeted drug delivery.
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