Structural feature evolution – from fluids to the solid phase – and crystal morphology study of LASSBio 1601: a cyclohexyl-N-acylhydrazone derivative

LASSBio-1601, a cyclohexyl- N -acylhydrazone derivative, was synthesized as part of a research program to develop a series of anti-inflammatory and analgesic compounds. A complete knowledge of the structure, including stereochemistry, is essential to lead optimization in drug discovery. In this work...

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Bibliographic Details
Published in:RSC advances 2015-01, Vol.5 (50), p.39889-39898
Main Authors: Costa, Fanny Nascimento, da Silva, Tiago F., Silva, Eduardo Miguez B., Barroso, Regina C. R., Braz, Delson, Barreiro, Eliezer J., Lima, Lídia Moreira, Punzo, Francesco, Ferreira, Fabio Furlan
Format: Article
Language:English
Subjects:
Crystal structure
Derivatives
Evolution
Fluids
Morphology
Optimization
Solid phases
Structural analysis
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Summary:LASSBio-1601, a cyclohexyl- N -acylhydrazone derivative, was synthesized as part of a research program to develop a series of anti-inflammatory and analgesic compounds. A complete knowledge of the structure, including stereochemistry, is essential to lead optimization in drug discovery. In this work different techniques were used to obtain detailed information on the evolution of the structural characteristics of this compound from fluids to the solid state, in order to shed some light on the conformation of the molecule in different physical states. By quoting the aforementioned structural analysis, a crystal morphology prediction, compared with the experimentally inferred SEM images, has been performed to analyze potentially alternative routes useful for pharmaceutical tableting.
ISSN:2046-2069
2046-2069
DOI:10.1039/C5RA02696B