Rapid Insight into Heating-Induced Phase Transformations in the Solid State of the Calcium Salt of Atorvastatin Using Multivariate Data Analysis

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• 作者：Niels Peter Aae Christensen (1)
  Bernard Van Eerdenbrugh (2) (4)
  Kaho Kwok (2)
  Lynne S. Taylor (2)
  Andrew D. Bond (3)
  Thomas Rades (1)
  Jukka Rantanen (1)
  Claus Cornett (1)
  
• 关键词：calcium atorvastatin ; multivariate data analysis ; phase transformation ; Raman spectroscopy ; synchrotron XRPD
• 刊名：Pharmaceutical Research
• 出版年：2013
• 出版时间：March 2013
• 年：2013
• 卷：30
• 期：3
• 页码：826-835
• 全文大小：715KB
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• 作者单位：Niels Peter Aae Christensen (1)
  Bernard Van Eerdenbrugh (2) (4)
  Kaho Kwok (2)
  Lynne S. Taylor (2)
  Andrew D. Bond (3)
  Thomas Rades (1)
  Jukka Rantanen (1)
  Claus Cornett (1)
  
  1. Department of Pharmacy, Faculty of Health and Medical Sciences, University of Copenhagen, Copenhagen, Denmark
  2. Department of Industrial and Physical Pharmacy, College of Pharmacy, Purdue University, West Lafayette, Indiana, USA
  4. Laboratory for Pharmacotechnology and Biopharmacy, Katholieke Universiteit Leuven, Leuven, Belgium
  3. Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Odense, Denmark
  
• ISSN：1573-904X

文摘

Purpose To investigate the heating-induced dehydration and melting behavior of the trihydrate phase of the calcium salt of atorvastatin. Methods Multivariate curve resolution (MCR) was used to decompose a variable-temperature synchrotron X-ray powder diffraction (VT-XRPD) data matrix into diffraction patterns and concentration profiles of pure drug phases. Results By means of the MCR-estimated diffraction patterns and concentration profiles, the trihydrate phase of the drug salt was found to dehydrate sequentially into two partially dehydrated hydrate structures upon heating from 25 to 110°C, with no associated breakage of the original crystal lattice. During heating from 110 to 140°C, the remaining water was lost from the solid drug salt, which instantly collapsed into a liquid crystalline phase. An isotropic melt was formed above 155°C. Thermogravimetric analysis, hot-stage polarized light microscopy, and hot-stage Raman spectroscopy combined with principal component analysis (PCA) was shown to provide consistent results. Conclusions This study demonstrates that MCR combined with VT-XRPD is a powerful tool for rapid interpretation of complex dehydration behavior of drug hydrates, and it is also the first report on a liquid crystalline phase of the calcium salt of atorvastatin.