| Identification | Back Directory | [Name]
Ethanone, 1-[5-[(1H-benzimidazol-2-ylthio)methyl]-2-furanyl]-2,2,2-trifluoro- | [CAS]
423731-10-6 | [Synonyms]
H8A5
H8-A5
H8 A5
Ethanone, 1-[5-[(1H-benzimidazol-2-ylthio)methyl]-2-furanyl]-2,2,2-trifluoro- | [Molecular Formula]
C14H9F3N2O2S | [MOL File]
423731-10-6.mol | [Molecular Weight]
326.29 |
| Hazard Information | Back Directory | [Description]
H8-A5 is a novel HDAC8 inhibitor. H8-A5 is selective for HDAC8 over HDAC 1/4 and shows antiproliferation activity in MDA-MB-231 cancer cells. | [Uses]
H8-A5 is a novel human histone deacetylase 8 (HDAC8) inhibitor. A highly specific ZBG-based pharmacophore model was developed by incorporating a custom zinc-binding group (ZBG) feature. Pharmacophore-based virtual screening identified three novel HDAC8 inhibitors with low micromolar IC50 values (1.8-1.9 μM). Further studies showed that H8-A5 was more selective for HDAC8 than HDAC1/4 and exhibited antiproliferative activity in MDA-MB-231 cancer cells. Molecular docking and molecular dynamics studies showed that H8-A5 could bind to HDAC8, providing a good starting point for the development of HDAC8 inhibitors for cancer treatment. | [References]
[1] Enhancing the Sensitivity of Pharmacophore-Based Virtual Screening by Incorporating Customized ZBG Features: A Case Study Using Histone Deacetylase 8 |
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