Synthesis and crystal structure of HDAC6 selective inhibitor of <i>N</i> -hydroxy-4-{2-[(2-hydroxyethyl)(phenyl)amino]-2-oxoethyl}benzamide monohydrate (HPOB·H <sub>2</sub> O)
The synthesis and crystal structure of the title compound <i>N</i>-hy-droxy-4-{2-[(2-hy-droxy-eth-yl)(phen-yl)amino]-2-oxoeth-yl}benzamide monohydrate (<b>HPOB</b>·<b>H<sub>2</sub>O</b>) is reported. The water mol-ecule is positionally disordered at 106 K. The complex crystallizes with monoclinic <i>P</i>2<sub>1</sub>/<i>n</i> symmetry, and the core of the mol-ecule is relatively planar with the two aryl substituents rotated out of the plane. This structure highlights how <b>HPOB</b>·<b>H<sub>2</sub>O</b> has a hydroxamate moiety that adopts a <i>Z</i> conformation.
Authors
- Andressa A. Bertolazzo (ORCID: https://orcid.org/0000-0002-1021-9095)
- Adaickapillai Mahendran
- Lauren Bradford
- S. Chantal E. Stieber
- Zola Cervantes
Institutions
- California State Polytechnic University (US)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2026-01-06
- DOI
- https://doi.org/10.1107/s2056989025010989
- Primary Topic
- Histone Deacetylase Inhibitors Research
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Science Foundation
- U.S. Department of Defense
- U.S. Department of Education
- California State Polytechnic University, Pomona