Name: PROTAC ERα Degrader-8
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848779
Cas No:3025533-68-7
常用名:PROTAC ERα Degrader-8
IUPAC:(3S)-3-(5-{4-[(8-{4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl}-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperazin-1-yl}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
IUPAC:(3S)-3-(5-{4-[(8-{4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl}-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperazin-1-yl}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
InChI key:WIMRLANOJASIIP-MVSHDMKLSA-N

分子式:C47H51N5O4
分子量:749.956
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H]C12CCC([H])(CC(CN3CCN(CC3)c3ccc4C(=O)N(Cc4c3)[C@H]3CCC(=O)NC3=O)C1)N2c1ccc(cc1)[C@@H]1[C@@H](CCc2cc(O)ccc12)c1ccccc1
SMILES:[H]C12CCC([H])(CC(CN3CCN(CC3)c3ccc4C(=O)N(Cc4c3)[C@H]3CCC(=O)NC3=O)C1)N2c1ccc(cc1)[C@@H]1[C@@H](CCc2cc(O)ccc12)c1ccccc1

PROTACERαDegrader-8 (compound ii-56) 作为一种高效的ErαPROTAC降解剂，其在MCF7细胞中的DC50仅为0.000006 μM。

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