6-苯基-哒嗪-3(2H)-酮在不同药用溶剂中的合成、表征及溶解度测定。
Synthesis, Characterization and Solubility Determination of 6-Phenyl-pyridazin-3(2)-one in Different Pharmaceutical Solvents.
机构信息
Department of Pharmaceutics, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh 11451, Saudi Arabia.
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Northern Border University, P.O. Box 840, Rafha 91911, Saudi Arabia.
出版信息
Molecules. 2019 Sep 19;24(18):3404. doi: 10.3390/molecules24183404.
The current research work proposed the solubility data and solution thermodynamic properties of the cardiovascular agent 6-phenylpyridazin-3(2)-one [PPD] in twelve pharmaceutical solvents at " = 298.2 K to 318.2 K" and " = 0.1 MPa". The measured solubilities of PPD were regressed well with "van't Hoff and Apelblat models". The solid phases of pure and equilibrated PPD were characterized using differential scanning calorimetry and powder X-ray differactometry, and the results suggested no transformation of PPD into solvates/hydrates/polymorphs after equilibrium. The solubilities of PPD in a mole fraction at " = 318.2 K" were noted at a maximum in dimethyl sulfoxide (DMSO, 4.73 × 10), followed by polyethylene glycol-400 (PEG-400, 4.12 × 10), Transcutol (3.46 × 10), ethyl acetate (EA, 81 × 10), 2-butanol (2.18 × 10), 1-butanol (2.11 × 10), propylene glycol (PG, 1.50 × 10), isopropyl alcohol (IPA, 1.44 × 10), ethylene glycol (EG, 1.27 × 10), ethanol (8.22 × 10), methanol (5.18 × 10) and water (1.26 × 10). Similar tendencies were also noted at other studied temperatures. The results of the "apparent thermodynamic analysis" showed an endothermic and entropy-driven dissolution of PPD in all pharmaceutical solvents. The results of the activity coefficients suggested a maximum interaction at the molecular level in PPD-DMSO, PPD-PEG-400 and PPD-Transcutol, compared with other combination of the solute and solvents.
目前的研究工作提出了心血管药物 6-苯基哒嗪-3(2)-酮（PPD）在 12 种药用溶剂中的溶解度数据和溶液热力学性质，温度范围为 298.2 K 至 318.2 K，压力为 0.1 MPa。PPD 的实测溶解度与“范特霍夫和阿佩尔布拉特模型”很好地吻合。使用差示扫描量热法和粉末 X 射线衍射法对纯 PPD 和平衡后的 PPD 固相进行了表征，结果表明平衡后 PPD 没有转化为溶剂化物/水合物/多晶型物。在温度为 318.2 K 时，PPD 在二甲基亚砜（DMSO，4.73×10）中的摩尔分数溶解度最高，其次是聚乙二醇-400（PEG-400，4.12×10）、 Transcutol（3.46×10）、乙酸乙酯（EA，81×10）、2-丁醇（2.18×10）、1-丁醇（2.11×10）、丙二醇（PG，1.50×10）、异丙醇（IPA，1.44×10）、乙二醇（EG，1.27×10）、乙醇（8.22×10）、甲醇（5.18×10）和水（1.26×10）。在其他研究温度下也观察到类似的趋势。“表观热力学分析”的结果表明，PPD 在所有药用溶剂中的溶解是吸热和熵驱动的。活度系数的结果表明，与溶质和溶剂的其他组合相比，在 PPD-DMSO、PPD-PEG-400 和 PPD-Transcutol 中，分子水平上的相互作用最大。
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