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制药用共晶体的晶体工程:将甲基作为分子的应用

Mujeeb Khan¹, Volker Enkelmann, Gunther Brunklaus

¹Max-Planck-Institut für Polymerforschung, Postfach 31 48, D-55021 Mainz, Germany.

Journal of the American Chemical Society

|March 19, 2010

概括

甲基偏与抗疟疾药物氨酸一起形成了制药联合晶体. 这种相互作用,一种键介导的分子识别,也可以选择性地将素从素分离出来.

科学领域:

制药科学制药科学
材料科学材料科学材料科学
有机化学有机化学

背景情况:

尼丁是一种来自Cinchona树皮的抗疟疾药物,通常配制有辅助剂.
甲基是一种常见的药片辅助剂,具有分子相互作用的潜力.
同晶合成提供了一条修改药物特性和改进分离技术的途径.

研究的目的:

为了证明O-H...N异构合成用于合成制药联合晶体的适用性.
用先进的分析方法研究共晶体内的分子相互作用和构造.
开发一种方法来选择性地将素与其立体同位素素分离.

主要方法:

使用O-H...N异构合成的共晶合成.
多核固态核磁共振 (NMR) 光谱仪用于结构分析.
密度函数理论 (DFT) 量子化学计算用于NMR数据解释.

主要成果:

在甲基和胺之间成功合成了制药联合晶体.
通过固态NMR获得了对局部构造和结相互作用的详细见解.
甲基表明了分子特异性,作为一种"分子",通过键介导识别从中选择性分离素.

结论:

O-H...N 异质合成是有效的药物联合晶体形成与常见的辅助剂.
固态NMR和DFT计算为共晶结构和相互作用提供了宝贵的见解.
甲基的分子识别能力为制药环境中的立体异构体分离提供了一种新的方法.

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