| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1373734 | Bioorganic & Medicinal Chemistry Letters | 2009 | 5 Pages |
Abstract
NMR spectroscopy, X-ray crystallography, and molecular modeling studies indicate that N,N-disubstituted-1,4-diazepane orexin receptor antagonists exist in an unexpected low-energy conformation that is characterized by an intramolecular π-stacking interaction and a twist-boat ring conformation. Synthesis and evaluation of a macrocycle that enforces a similar conformation suggest that this geometry mimics the bioactive conformation.
Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slide
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Christopher D. Cox, Georgia B. McGaughey, Michael J. Bogusky, David B. Whitman, Richard G. Ball, Christopher J. Winrow, John J. Renger, Paul J. Coleman,