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Crystal structure of an apremilast ethanol hemisolvate hemihydrate solvatomorph.

アプレミラスト・エタノール半溶媒和物・半水和物の結晶構造解析

other not specified not assessed

Abstract

This study reports the crystallographic characterization of a novel solvatomorphic form of apremilast (AP), a phosphodiesterase 4 (PDE4) inhibitor. The asymmetric unit comprises one AP molecule along with disordered ethanol and water molecules, each at half occupancy. The dihedral angle formed between the phenyl and isoindole ring planes was determined to be 67.9°. Both intramolecular and intermolecular hydrogen bonding networks were found to contribute to the stabilization of the molecular conformation and the maintenance of crystal packing. This structural characterization provides insight into the solid-state properties of a pharmaceutically relevant compound.

Bibliographic

Authors
Wu Y, Liu X, Xu J, Zhang S, Shen K, Sun LI, et al.
Journal
Acta Crystallogr E Crystallogr Commun
Year
2017 (2017-06-01)
PMID
28638635
DOI
10.1107/S2056989017006661
PMC
PMC5458300

Tags

Disease:関節炎・リウマチ

Delivery context

The delivery route is not clearly identifiable from this paper. For hydrogen intake, inhalation is the most efficient route; inhalation, however, carries explosion risk (empirical LFL of 10%; high-concentration devices are not recommended).

Safety notes

The delivery route is not clearly identifiable from this paper. For hydrogen intake, inhalation is the most efficient route; inhalation, however, carries explosion risk (empirical LFL of 10%; high-concentration devices are not recommended).

See also:

Other papers on the same disease / condition

Cite as: H2 Papers — PMID 28638635. https://h2-papers.org/en/papers/28638635
Source: PubMed PMID 28638635