Design of cocrystals for molecules with limited hydrogen bonding functionalities: propyphenazone as a model system
Design of cocrystals for molecules with limited hydrogen bonding functionalities: propyphenazone as a model system
We report eight new cocrystals with an analgesic drug, propyphenazone, which belongs to a family of compounds that possess limited or no hydrogen bonding functionality. Such molecules present difficulties in predicting and selecting appropriate coformers for potential multicomponent systems, and current prediction methodologies are unsuitable due to their focus around hydrogen bonding. This study used a knowledge-based strategy to identify appropriate coformers as well as testing a wide variety of molecules to confirm the initial predictions. All new cocrystals were characterized using X-ray diffraction techniques as well as measuring their physiochemical properties. These included the thermal behavior, stability under slurry and accelerated conditions, solubility and dissolution rate and were compared with the parent propyphenazone. It was found that while the stability of most of the cocrystals and propyphenazone was comparable, a cocrystal with hydroquinone showed an increase in both the solubility and dissolution rate of propyphenazone.
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Mapp, Lucy
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Coles, Simon
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Aitipamula, Srinivasulu
e1ca2522-d14f-4f82-89ab-1996a021582a
Mapp, Lucy
b90136ce-37b0-464a-8934-d44a8c2d7e48
Coles, Simon
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Aitipamula, Srinivasulu
e1ca2522-d14f-4f82-89ab-1996a021582a
Mapp, Lucy, Coles, Simon and Aitipamula, Srinivasulu
(2016)
Design of cocrystals for molecules with limited hydrogen bonding functionalities: propyphenazone as a model system.
Crystal Growth & Design, .
(doi:10.1021/acs.cgd.6b01399).
Abstract
We report eight new cocrystals with an analgesic drug, propyphenazone, which belongs to a family of compounds that possess limited or no hydrogen bonding functionality. Such molecules present difficulties in predicting and selecting appropriate coformers for potential multicomponent systems, and current prediction methodologies are unsuitable due to their focus around hydrogen bonding. This study used a knowledge-based strategy to identify appropriate coformers as well as testing a wide variety of molecules to confirm the initial predictions. All new cocrystals were characterized using X-ray diffraction techniques as well as measuring their physiochemical properties. These included the thermal behavior, stability under slurry and accelerated conditions, solubility and dissolution rate and were compared with the parent propyphenazone. It was found that while the stability of most of the cocrystals and propyphenazone was comparable, a cocrystal with hydroquinone showed an increase in both the solubility and dissolution rate of propyphenazone.
Text
PROPY-CGD_Manuscript_post reviewers.pdf
- Accepted Manuscript
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Accepted/In Press date: 18 November 2016
e-pub ahead of print date: 18 November 2016
Organisations:
Faculty of Natural and Environmental Sciences
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Local EPrints ID: 403347
URI: http://eprints.soton.ac.uk/id/eprint/403347
ISSN: 1528-7483
PURE UUID: 33d3f6d7-cf42-468c-a053-252d1f1785e7
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Date deposited: 30 Nov 2016 11:37
Last modified: 16 Mar 2024 03:05
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Author:
Lucy Mapp
Author:
Srinivasulu Aitipamula
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