Name: Tubulin/HDAC-IN-1
Rating: 5 (10 reviews)

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HIT ID:HIT214433139
Cas No:2413587-26-3
常用名:Tubulin/HDAC-IN-1
IUPAC:(2E)-3-{5-[(2-cyanoquinolin-4-yl)(methyl)amino]-2-methoxyphenyl}-N-hydroxyprop-2-enamide
IUPAC:(2E)-3-{5-[(2-cyanoquinolin-4-yl)(methyl)amino]-2-methoxyphenyl}-N-hydroxyprop-2-enamide
InChI key:QHXOKFICRLZQNX-JXMROGBWSA-N

分子式:C21H18N4O3
分子量:374.4
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc(cc1\C=C\C(=O)NO)N(C)c1cc(nc2ccccc12)C#N
SMILES:COc1ccc(cc1\C=C\C(=O)NO)N(C)c1cc(nc2ccccc12)C#N

Tubulin/HDAC-IN-1 is a compound that functions as a dual inhibitor for tubulin and HDAC-IN-1. It achieves this by interacting with tubulin through CH/π interaction and with HDAC8 through hydrogen bond interaction. This compound effectively inhibits tubulin polymerization and selectively targets HDAC8 with an IC50 of 150 nM. Additionally, Tubulin/HDAC-IN-1 demonstrates cytotoxicity against various human cancer cells, induces cell cycle arrest in the G2/M phase, and triggers cell apoptosis. This compound is valuable for studying hematologic and solid tumors, including neuroblastoma and leukemia [1].

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