Name: HDACs/mTOR Inhibitor 1
Rating: 5 (10 reviews)

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HIT ID:HIT212671390
Cas No:2271413-06-8
常用名:HDACs/mTOR Inhibitor 1
IUPAC:(2R)-N-(4-{1-[6-(hydroxycarbamoyl)hexyl]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-2-methylmorpholine-4-carboxamide
IUPAC:(2R)-N-(4-{1-[6-(hydroxycarbamoyl)hexyl]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-2-methylmorpholine-4-carboxamide
InChI key:YPXRCUVTZDXVHY-HXUWFJFHSA-N

分子式:C28H38N8O5
分子量:566.663
氢键供体数 (HBD):3
氢键受体数 (HBA):9
LogP:2.7070737
SMILES:C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
SMILES:C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1

HDACs/mTOR Inhibitor 1 is a dual HDACs and mammalian target of Rapamycin (mTOR) target inhibitor for treating hematologic malignancies (IC50s: 0.19 nM, 1.8 nM, 1.2 nM, and >500 nM for HDAC1, HDAC6, mTOR and PI3Kα).

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