巴尼地平在不同纯溶剂中的溶解度数据及溶解度参数

IF 0.4 Q4 PHARMACOLOGY & PHARMACY Ars Pharmaceutica Pub Date : 2023-09-22 DOI:10.30827/ars.v64i4.27728
Mª Ángeles Peña-Fernández, Gaia Spanò, Norma Sofía Torres Pabón, Fleming Martínez
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引用次数: 1

摘要

研究药物在不同化学类别的纯溶剂中的溶解度和获得药物的物理化学数据是开发新药物配方的关键。在这项工作中,计算汉森部分溶解度参数(HSP)来评估巴尼地平在17种纯溶剂中的混溶性和分子间相互作用。将所得结果与根据巴尼地平结构计算的理论值进行比较,对于分析添加剂贡献基团的溶质-溶质、溶质-溶剂关系对该分子的化学和物理性质的影响,以及测试的不同极性溶剂,提供在制药工业中非常有用的相关信息是有价值的。方法:采用经典摇瓶法测定巴尼地平在单溶剂中的平衡溶解度,然后在298.15 K下进行紫外分光光度分析。采用Hoftyzer-Van Krevelen和Fedors提出的理论基团贡献法计算了部分溶解度参数。基于线性溶剂化能关系的概念,采用KAT-LSER模型研究了溶剂的影响。摩尔分数由溶液的密度得到。采用差示扫描量热法进行固相分析。结果:在扩展Hansen方法中引入的修改,即使用lnX2作为因变量,得到了很好的结果。在极性溶剂中发现了最高的溶解度值。通过氢键和范德华力观察到溶剂-溶剂和溶质-溶剂分子间相互作用对药物溶解度有显著影响。结论:采用热扫描分光光度法评价了各溶剂对巴尼地平的亲和力。结果表明,HSP可以很好地用于分析药物在特定溶剂中的溶解度。巴尼地平较易溶于碳链较短、极性较高的溶剂中。
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Solubility data and solubility parameters of barnidipine in different pure solvents
Introduction: Solubility studies and obtaining physicochemical data on drugs in pure solvents belonging to different chemical classes are key to developing new drug formulations. In this work, Hansen partial solubility parameters (HSP) were calculated to assess the miscibility and intermolecular interactions of barnidipine in seventeen pure solvents. The comparison of the results obtained with the theoretical values ​​calculated according to the structure of barnidipine, were valuable to analyse the influence of the solute-solute, solute-solvent relationships of the additive contribution groups, on the chemical and physical properties of this molecule with the solvents of different polarity tested, to provide relevant information highly useful in the pharmaceutical industry. Method: Equilibrium barnidipine solubilities in mono-solvents was determined using the classical shake-flask method, followed by UV-spectrophotometric analysis at 298.15 K. The partial solubility parameters were calculated by applying theoretical group contribution methods, proposed by Hoftyzer-Van Krevelen and Fedors. The KAT-LSER model was used to investigate the effect of solvent based on the concept of linear solvation energy relationships. The mole fraction was obtained from the densities of the solutions. Solid-phase analyses were made by calorimetry differential scanning. Results: The modification introduced in the extended Hansen method, that is, the use of lnX2 as the dependent variable, provided excellent results. The highest solubility values have been found in polar solvents. It is observed that solvent-solvent and solute-solvent intermolecular interactions through hydrogen bonds and van der Waals forces, significantly influence drug solubility. Conclusions: The affinity between barnidipine and each one of the selected solvent was evaluated by using HSP. Results showed that HSP could be well used to analyse drug solubility in particular solvents. Barnidipine is easier to dissolve in solvents with shorter carbon chains and higher polarity.
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来源期刊
Ars Pharmaceutica
Ars Pharmaceutica PHARMACOLOGY & PHARMACY-
自引率
25.00%
发文量
18
审稿时长
10 weeks
期刊介绍: La revista ARS PHARMACEUTICA se edita trimestralmente, publicando tanto trabajos de investigación y revisión, como breves cartas al director sobe experiencias realizadas en el campo de las ciencias farmacéuticas y afines. Los trabajos se publicarán en español e inglés.
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