Prediction of Solubility of Drugs and Other Compounds in Organic Solvents
Prediction of Solubility of Drugs and Other Compounds in Organic Solvents
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DOI：
10.1002/jps.21922
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发表时间：
2010-03-01
影响因子：
3.8
通讯作者：
Acree, William E., Jr.
中科院分区：
文献类型：
--
作者：
Abraham, Michael H.;Smith, Robert E.;Acree, William E., Jr.
我们已经制定了一个程序的药物和其他化合物在广泛的溶剂中的溶解度的预测，基于亚伯拉罕溶剂化方程。该方法需要一个给定的化合物在几种溶剂中的溶解度的知识，如我们自己的实验数据夹竹桃麻素，二夹竹桃麻素，脱氢二香草醛，和脱氢二（香草酸甲酯）。该程序特别适用于非常疏水的化合物，如胆固醇乙酸酯和胆固醇，我们给出的例子。其它实例包括香草醛和3，4_二氯苯甲酸。如果在水中的溶解度是可用的，那么这本身就足以预测在有机溶剂中的溶解度，只要亚伯拉罕描述符可用于化合物。可预测在约85种溶剂中的溶解度。(C)2009威利-利斯公司和American Pharmacologist Association J Pharm Sci 99：1500-1515，2010
We have set out a procedure for the prediction of solubilities of drugs and other compounds in a wide range of solvents, based on the Abraham solvation equations. The method requires a knowledge of solubilities of a given compound in a few solvents, as shown by our own experimental data on apocynin, diapocynin, dehydrodivanillin, and dehydrodi(methyl vanillate). The procedure is especially useful for very hydrophobic compounds such as cholesteryl acetate and cholesterol that we give as examples. Other examples include vanillin and 3,4-dichlorobenzoic acid. If the solubility in water is available, then this alone is sufficient to predict solubilities in organic solvents, provided that the Abraham descriptors are available for the compound. Predictions can be made for solubilities in some 85 solvents. (C) 2009 Wiley-Liss, Inc. and the American Pharmacists Association J Pharm Sci 99:1500-1515, 2010