Supporting Data for Pharmaceutical Polymorph Control in a Drug-Mimetic Supramolecular Gel
Supporting Data for Pharmaceutical Polymorph Control in a Drug-Mimetic Supramolecular Gel
We report the synthesis of a bis(urea) gelator designed to specifically mimic the chemical structure of the highly polymorphic drug substance ROY. Crystallization of ROY from toluene gels of this gelator results in the formation of the metastable red form instead of the thermodynamic yellow polymorph. In contrast, all other gels and solution control experimetns give the yellow form. Conformational and crystal structure prediction methods have been used to propose the structure of the gel and shows that the templation of the red form by the targetted gel results from conformational matching of the gelator to the ROY substrate coupled with overgorwth of ROY onto the the local periodic structure of the gel fibres
Foster, Jonathan A.
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Damodaran, Krishna K.
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Maurin, Antoine
d5060c18-8aff-43aa-a5d4-9f102df62a56
Day, Graeme M.
e3be79ba-ad12-4461-b735-74d5c4355636
Thompson, Hugh P. G.
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Cameron, Gary S.
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Cuestra, Jenifer
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Steed, Jonathan W.
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Foster, Jonathan A.
c65a60d4-6770-497b-82ce-0656dceb97ec
Damodaran, Krishna K.
24603524-476f-45f4-a657-fb547b921c17
Maurin, Antoine
d5060c18-8aff-43aa-a5d4-9f102df62a56
Day, Graeme M.
e3be79ba-ad12-4461-b735-74d5c4355636
Thompson, Hugh P. G.
be3bf8ed-7503-4b64-9851-5116134859c3
Cameron, Gary S.
8a6c2fd1-ac1b-468c-b275-8c99c3634220
Cuestra, Jenifer
b6b90dff-d3fd-42f1-8b50-8de04d994ec1
Steed, Jonathan W.
97a5b8f6-b374-454d-a0b4-0bcaf37aa962
(2016)
Supporting Data for Pharmaceutical Polymorph Control in a Drug-Mimetic Supramolecular Gel.
Durham University
doi:10.15128/r108612n524
[Dataset]
Abstract
We report the synthesis of a bis(urea) gelator designed to specifically mimic the chemical structure of the highly polymorphic drug substance ROY. Crystallization of ROY from toluene gels of this gelator results in the formation of the metastable red form instead of the thermodynamic yellow polymorph. In contrast, all other gels and solution control experimetns give the yellow form. Conformational and crystal structure prediction methods have been used to propose the structure of the gel and shows that the templation of the red form by the targetted gel results from conformational matching of the gelator to the ROY substrate coupled with overgorwth of ROY onto the the local periodic structure of the gel fibres
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Published date: 2016
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Local EPrints ID: 449442
URI: http://eprints.soton.ac.uk/id/eprint/449442
PURE UUID: 2264357c-6b84-4820-8273-dcf4ab106a85
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Date deposited: 28 May 2021 16:33
Last modified: 13 Jan 2024 02:45
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Contributors
Contributor:
Jonathan A. Foster
Contributor:
Krishna K. Damodaran
Contributor:
Antoine Maurin
Contributor:
Hugh P. G. Thompson
Contributor:
Gary S. Cameron
Contributor:
Jenifer Cuestra
Contributor:
Jonathan W. Steed
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