How to choose a solvent and design your crystallization faster?
- Traditional solvent screening takes too long to fix crystallization problems for fast-moving clinical candidates.
- Utilize molecular modeling and smart experimentation to screen thousands of solvents virtually, as quickly as possible, before selecting the best one based on sound experimentation.
- An early phase oncology candidate could meet its clinical milestones after a rapid solvent change, and crystallization redesign.
Choosing a great solvent is the cornerstone of good crystallization development, enabling improved impurity rejection, particle size control and better yield. Brute force screening is a standard approach that can get the job done but it takes a long time and there is no guarantee the perfect solvent will be selected.
With this challenge in mind, APC scientists developed a solvent selection platform that combines molecular modeling with smart experimentation to select better solvents faster. Thousands of solvents and solvent combinations are screened virtually, using readily available molecular information, resulting in a narrow set of high potential solvent candidates that can be screened experimentally. The virtual screening focuses on predicting which solvents and solvent combinations are most likely to deliver high yield, good impurity rejection, minimal solvation and the kinetic properties that will enable particle size control through supersaturation.
This breakthrough enabled an early phase oncology asset, with a highly problematic crystallization step, to meet its clinical milestones, by quickly changing the solvent, and redesigning the crystallization process to deliver improved form control and isolation properties, all in just 6 weeks. A standard brute force approach would have either put the timeline at risk or resulted in a solvent choice that would have made the subsequent rapid crystallization redesign much harder. Good solvents lead to more reliable crystallization design meaning the breakthroughs that identify them quickly are more important than ever, and a key component of APCs lightning-fast development efforts.
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