Name: BRD7-IN-1 free base
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212667518
Cas No:2305379-66-0
常用名:BRD7-IN-1 free base
IUPAC:4-{3,5-dimethoxy-4-[(piperazin-1-yl)methyl]phenyl}-2-methyl-1,2-dihydro-2,7-naphthyridin-1-one
IUPAC:4-{3,5-dimethoxy-4-[(piperazin-1-yl)methyl]phenyl}-2-methyl-1,2-dihydro-2,7-naphthyridin-1-one
InChI key:NWXABBDHVJBGQH-UHFFFAOYSA-N

分子式:C22H26N4O3
分子量:394.475
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:0.8535578
SMILES:COc1cc(cc(OC)c1CN1CCNCC1)-c1cn(C)c(=O)c2cnccc12
SMILES:COc1cc(cc(OC)c1CN1CCNCC1)-c1cn(C)c(=O)c2cnccc12

BRD7-IN-1 free base, a modified derivative of BI7273 (BRD7/9 inhibitor), interacts with a VHL ligand through a linker, constituting the PROTAC VZ185 (targeting BRD7/9 with DC50 values of 4.5 and 1.8 nM, respectively)[1].

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