Overall stability for the ibuprofen racemate: experimental and topological results leading to the pressure-temperature phase relationships between its racemate and conglomerate.
Overall stability for the ibuprofen racemate: experimental and topological results leading to the pressure-temperature phase relationships between its racemate and conglomerate.
复制标题
布洛芬外消旋体的总体稳定性：实验和拓扑结果导致其外消旋体和聚集体之间的压力-温度相位关系。
DOI：
--
复制
发表时间：
2012
影响因子：
3.3
通讯作者：
R. Céolin
中科院分区：
文献类型：
--
作者：
I. Rietveld;M. Barrio;B. Do;J. Tamarit;R. Céolin
对映体拆分在制药应用中备受追捧，因为许多具有光学活性的药物分子只有一种具有药学活性的对映体。尽管强行分离总是可能的，但这是要付出代价的。目前的方法，基于热力学，提供了一个相对容易的方法来研究分离是否可以热力学自发。通过对压力和热相关量的分析，构建了二元对映体体系在0.5摩尔分数下随温度和压力变化的拓扑相图。结果表明，对于光活性镇痛药布洛芬，外消旋体是唯一稳定的固体形式；外消旋体和砾岩之间的相关系类似于纯化合物的二态性和整体的单向性。
Enantiomer resolution is much sought after for pharmaceutical applications, because many optically active drug molecules have only one pharmaceutically active enantiomer. Although it is always possible to force separation, it will come at a cost. The present method, based on thermodynamics, provides a relatively easy approach to investigate whether separation can be thermodynamically spontaneous. A topological phase diagram of the binary enantiomer system at 0.5 mol-fraction is constructed as a function of temperature and pressure after analysis of pressure and heat related quantities. It is demonstrated that for ibuprofen, an optically active analgesic, the racemate is the only stable solid form; the phase relationship between the racemate and the conglomerate is analogous to dimorphism with overall monotropy in pure chemical compounds.