Name: PROTAC BRD4 Degrader-2
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212666596
Cas No:2185795-53-1
常用名:PROTAC BRD4 Degrader-2
IUPAC:2-[2-(4-{[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}-1H-1,2,3-triazol-1-yl)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]acetamide
IUPAC:2-[2-(4-{[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}-1H-1,2,3-triazol-1-yl)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]acetamide
InChI key:LSXNGBATZZFCNR-UHFFFAOYSA-N

分子式:C40H39N9O7
分子量:757.808
氢键供体数 (HBD):2
氢键受体数 (HBA):9
LogP:1.9330655
SMILES:CN1C(=O)N(Cc2cn(CCOCC(=O)Nc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)nn2)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
SMILES:CN1C(=O)N(Cc2cn(CCOCC(=O)Nc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)nn2)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C

PROTAC BRD4 Degrader-2 is an efficacious degrader of PROTAC BRD4(BRD4 BD1,IC50 of 14.2 nM).

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