Name: PROTAC SMARCA2 degrader-28
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219136896
Cas No:2641510-88-3
常用名:PROTAC SMARCA2 degrader-28
IUPAC:5-(4-{4-[(3-{3-[3-amino-6-(5-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}phenyl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione; bis(trifluoroacetic acid)
IUPAC:5-(4-{4-[(3-{3-[3-amino-6-(5-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}phenyl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione; bis(trifluoroacetic acid)
InChI key:KJFXSDIHISMYCX-UHFFFAOYSA-N

分子式:C50H51F7N10O10
分子量:1085.007
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Nc1nnc(cc1N1CC2CCC(C1)N2c1cccc(CN2CCN(CC2)C(=O)C2CCN(CC2)c2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)c1)-c1cc(F)ccc1O
SMILES:OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Nc1nnc(cc1N1CC2CCC(C1)N2c1cccc(CN2CCN(CC2)C(=O)C2CCN(CC2)c2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)c1)-c1cc(F)ccc1O

PROTAC SMARCA2 degrader-28 (Compound 158) 作为一种高效的SMARCA2 PROTAC降解剂，在HiBiT A549细胞中显示出卓越性能，其DC50值为3 nM。

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