在Canagliflozin片中的多态杂质的同时定量分析,利用近红外光谱学和部分最小平方回归
Mingdi Liu1,2,3, Rui Fu1,2, Guiyu Xu1,2
1College of Chemistry and Materials Science, Qinghai Minzu University, Xining 810007, China.
Molecules (Basel, Switzerland)
|January 28, 2026
概括
这项研究开发了一种近红外光谱 (NIR) 方法与部分最小平方回归 (PLSR) 结合,用于准确量化卡纳格利弗洛辛 (CFZ) 片中的无水 (An-CFZ) 和单水 (Mono-CFZ) 杂质. 经过验证的方法通过在制造和储存过程中监测多态变化来确保产品质量.
科学领域:
- 制药科学 制药科学
- 分析化学 分析化学
- 频谱学是一种光谱学.
背景情况:
- 卡纳格利弗洛辛 (CFZ) 是一种2型糖尿病药物,存在各种多态形式.
- 半水合物形式 (Hemi-CFZ) 是其可溶性的首选,但可以转化为无水 (An-CFZ) 和单水合物 (Mono-CFZ) 形式.
- 多态不稳定性可能会影响CFZ片的生物可用性和疗效,需要严格的质量控制.
研究的目的:
- 开发和验证一种快速,非破坏性的方法,用于在CFZ片中同时量化An-CFZ和Mono-CFZ.
- 用近红外光谱 (NIR) 和部分最小平方回归 (PLSR) 阐明定量分析机制.
- 建立一种可靠的方法,在整个药物产品生命周期中监测多态杂质.
主要方法:
- 使用近红外光谱学 (NIR) 与部分最小平方回归 (PLSR) 相结合.
- 正角实验的设计是为了优化预处理方法和群优化 (ACO) 算法.
- 开发并验证了一种PLSR模型,用于量化An-CFZ和Mono-CFZ在0.0000~10.0000w/w%的度范围内.
主要成果:
- 一个最佳的PLSR模型实现了0.9919的R2值,证明了同时定量化的高精度.
- 该研究成功地将由ACO选择的NIR光谱信号与An-CFZ和Mono-CFZ的分子结构相关联.
- 通过潜变量分析和负载来解释PLSR定量分析的机制.
结论:
- 在CFZ片中量化An-CFZ和Mono-CFZ时,NIR-PLSR方法是可行的和可靠的.
- 该方法为质量控制提供了强大的工具,在生产,储存和运输过程中监测多态杂质.
- 该研究为分析类似药品中的多重多态杂质提供了一种方法参考.
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