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MedChemBuzz
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Medicinal chemistry blog - selected highlights from recent literature…
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MedChemBuzz | Medicinal chemistry blog – selected highlights from recent literature… MedChemBuzz Medicinal chemistry blog – selected highlights from recent literature… Skip to content Home About Contact Disclaimer ← Older posts Improving Solubility using X-ray crystal structure data Posted on May 21, 2012 by mcb A recent publication from AstraZeneca provides a really interesting overview of the approach that they took to optimise the solubility of a series of GPR119 agonists. The initial lead compound 2 was only poorly soluble but, by obtaining small molecule x-ray structures of this and subsequent compounds, the AZ team were able to identify H-bonding networks within the crystal lattice and to target molecular features with the potential to disrupt these and other intermolecular interactions, thus lowering the melting point and increasing aqueous solubility. The paper describes this process in some detail and also highlights other key strategies that...
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