Name: HDAC8-IN-3
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT214432682
Cas No:2432825-93-7
常用名:HDAC8-IN-3
IUPAC:N-(1,3-benzothiazol-2-yl)-2-{2,4-dioxo-5-[(pyridin-2-yl)methylidene]-1,3-thiazolidin-3-yl}acetamide
IUPAC:N-(1,3-benzothiazol-2-yl)-2-{2,4-dioxo-5-[(pyridin-2-yl)methylidene]-1,3-thiazolidin-3-yl}acetamide
InChI key:UZIRFWMKGFFXMC-UHFFFAOYSA-N

分子式:C18H12N4O3S2
分子量:396.44
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O=C(CN1C(=O)SC(=Cc2ccccn2)C1=O)Nc1nc2ccccc2s1
SMILES:O=C(CN1C(=O)SC(=Cc2ccccn2)C1=O)Nc1nc2ccccc2s1

HDAC8-IN-3 (compound P19) is a highly potent inhibitor of HDAC8, displaying an IC50 value of 9.3 μM and producing thermal stabilization. Moreover, HDAC8-IN-3 exhibits cytotoxicity and induces apoptosis specifically in leukemic cell lines [1].

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