H8-A5

• UNSPSC Description:

  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.

• Target Antigen:

  Others

• Type:

  Reference compound

• Related Pathways:

  Others

• Applications:

  Cancer-programmed cell death

• Field of Research:

  cancer

• Assay Protocol:

  https://www.medchemexpress.com/h8-a5.html

• Smiles:

  O=C(C(F)(F)F)C1=CC=C(CSC2=NC3=C(N2)C=CC=C3)O1

• Molecular Weight:

  326.29

• References & Citations:

  [1]Enhancing the Sensitivity of Pharmacophore-Based Virtual Screening by Incorporating Customized ZBG Features: A Case Study Using Histone Deacetylase 8

• Shipping Conditions:

  Room temperature

• Clinical Information:

  No Development Reported

• CAS Number:

  423731-10-6