Synthesis and crystal structure of HDAC6 selective inhibitor of N-hy-droxy-4-{2-[(2-hy-droxy-eth-yl)(phen-yl)amino]-2-oxoeth-yl}benzamide monohydrate (HPOB·H(2)O)

HDAC6选择性抑制剂N-羟基-4-{2-[(2-羟基乙基)(苯基)氨基]-2-氧代乙基}苯甲酰胺一水合物(HPOB·H(2)O)的合成及晶体结构

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Abstract

The synthesis and crystal structure of the title compound N-hy-droxy-4-{2-[(2-hy-droxy-eth-yl)(phen-yl)amino]-2-oxoeth-yl}benzamide monohydrate (HPOB·H(2)O) is reported. The water mol-ecule is positionally disordered at 106 K. The complex crystallizes with monoclinic P2(1)/n 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 HPOB·H(2)O has a hydroxamate moiety that adopts a Z conformation.

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