Name: PROTAC EGFR degrader 13
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220772694
Cas No:2861227-35-0
常用名:PROTAC EGFR degrader 13
IUPAC:5-{4-[(1-{4-[(5-bromo-4-{[4-cyclopropyl-2-(dimethylphosphoryl)phenyl]amino}pyrimidin-2-yl)amino]-5-methoxy-2-(1-methyl-1H-pyrazol-4-yl)phenyl}piperidin-4-yl)methyl]piperazin-1-yl}-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC:5-{4-[(1-{4-[(5-bromo-4-{[4-cyclopropyl-2-(dimethylphosphoryl)phenyl]amino}pyrimidin-2-yl)amino]-5-methoxy-2-(1-methyl-1H-pyrazol-4-yl)phenyl}piperidin-4-yl)methyl]piperazin-1-yl}-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
InChI key:InChIKey=VKKMJKSVJPZRKD-UHFFFAOYSA-N

分子式:C49H55BrN11O6P
分子量:1004.928
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(N2CCC(CN3CCN(CC3)c3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)CC2)c(cc1Nc1ncc(Br)c(Nc2ccc(cc2P(C)(C)=O)C2CC2)n1)-c1cnn(C)c1
SMILES:COc1cc(N2CCC(CN3CCN(CC3)c3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)CC2)c(cc1Nc1ncc(Br)c(Nc2ccc(cc2P(C)(C)=O)C2CC2)n1)-c1cnn(C)c1

PROTACEGFRdegrader 13 (compound 106) 是一种EGFR PROTAC降解剂，具有DC50小于0.1 μM的活性。它能够抑制Ba/F3-TEL-EGFR-T790M-L858R-C797S细胞的增殖，IC50为15.6 nM。此化合物可用于涉及EGFR的癌症研究。

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