测定溶解度,溶解性质,以及将resmetirom (A型) 转化为和七种酒精中的固体
Chang Liu1, Yue Xu1, Haikuan Yuan1
1College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science Shanghai 201620 China yhk12345@163.com lujie@sues.edu.cn +86 21 67791214.
RSC advances
|July 31, 2023
概括
这项研究量化了resmetirom (形式A) 在各种溶剂中的溶解度,这对于制药结晶至关重要. 它揭示了结的存在.
科学领域:
- 物理化学 物理化学
- 制药科学 制药科学
- 结晶工程 结晶工程
背景情况:
- 对于优化其制药结晶过程,Resmetirom (A型) 溶解度至关重要.
- 了解固态转换和溶剂相互作用对于药物开发至关重要.
研究的目的:
- 测量和建模resmetirom (形式A) 在各种溶剂中的可溶性.
- 为了研究resmetirom (形式A) 和其酒精溶解物之间的固体转化动力学.
- 建立一种用于研究固态转换的定量方法.
主要方法:
- 在赫和七种酒精溶剂中进行重力测量溶解度测量.
- 使用修改的阿佩尔布拉特和乔伊班-阿克里-万特-霍夫方程进行热力学建模.
- 密度函数理论 (DFT) 的计算和红外 (IR) 光谱学.
- 部分最小平方回归 (PLSR) 用于对实体变化的定量分析.
主要成果:
- 通过修改的Apelblat和J-A-V模型 (ARD<0.5%) 实现了高相关性准确性.
- 鉴定出结合是影响resmetirom溶解度的主要因素.
- 从resmetirom (形式A) 转化为溶酸盐的转化率随着温度的增加而下降.
结论:
- 该研究提供了重要的溶解度数据和溶剂选择指南,用于resmetirom (形式A) 结晶.
- 已建立的PLSR方法为固态转换提供了高精度的定量分析.
- 这些发现支持制药行业高效地生产resmetirom (形式A).
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