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Updated: Jun 1, 2026
11:45
Preparation of Stable Bicyclic Aziridinium Ions and Their Ring-Opening for the Synthesis of Azaheterocycles
Published on: August 22, 2018
(Anthracen-9-yl)(piperidin-1-yl)-methanone
Summary
This study details the crystal structure of a compound related to mammalian acetyl-coenzyme A carboxylase inhibitors. Molecular arrangement reveals specific dihedral angles and intermolecular interactions, offering insights into inhibitor design.
Area of Science:
- Crystallography
- Medicinal Chemistry
- Structural Biology
Background:
- The title compound, C(20)H(19)NO, is a substructure of CP-640186.
- CP-640186 is a potent inhibitor of mammalian acetyl-coenzyme A carboxylases (ACACs).
Purpose of the Study:
- To elucidate the crystal structure of the title compound.
- To understand the structural basis for potential ACAC inhibition.
Main Methods:
- Single-crystal X-ray diffraction analysis was performed.
- The crystal structure was solved and refined.
Main Results:
- The amide group exhibits a dihedral angle of 87.0° with the anthracene plane.
- The piperidine ring adopts a chair conformation.
- Molecules form layers with specific dihedral angles (13.2°) between adjacent anthracene units.
- Intermolecular C-H⋯O interactions were identified between piperidine rings and amide carbonyl groups.
Conclusions:
- The crystal structure provides detailed geometric information about the compound.
- Observed interactions may be relevant for understanding ACAC inhibition mechanisms.
- This structural data can inform the design of novel ACAC inhibitors.
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