PROTAC BRD4 Degrader-1 | CAS 2133360-00-4 | AnyMole

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HIT212666595

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HIT212666595

HIT ID:HIT212666595
Cas No:2133360-00-4
常用名:PROTAC BRD4 Degrader-1
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)-1,3-dioxo-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)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]acetamide
InChI key:FXNACIMQXOPNJG-UHFFFAOYSA-N

分子式:C40H37N9O8
分子量:771.791
氢键供体数 (HBD):2
氢键受体数 (HBA):10
LogP:2.477699
SMILES:CN1C(=O)N(Cc2cn(CCOCC(=O)Nc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
SMILES:CN1C(=O)N(Cc2cn(CCOCC(=O)Nc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C

PROTAC BRD4 Degrader-1 is an efficacious degrader of BRD4(BRD4 BD1,IC50 of 41.8 nM).

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