Name: PROTAC IRAK4 degrader-12
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT218929767
Cas No:2919995-09-6
常用名:PROTAC IRAK4 degrader-12
IUPAC:2-{2-[(cyclopropylmethyl)amino]pyridin-4-yl}-N-[3-(difluoromethyl)-1-[(1r,4r)-4-{[4-({[1-(2,6-dioxopiperidin-3-yl)naphtho[1,2-d][1,2]oxazol-6-yl]carbamoyl}methyl)piperazin-1-yl]methyl}cyclohexyl]-1H-pyrazol-4-yl]-1,3-oxazole-4-carboxamide hydrochloride
IUPAC:2-{2-[(cyclopropylmethyl)amino]pyridin-4-yl}-N-[3-(difluoromethyl)-1-[(1r,4r)-4-{[4-({[1-(2,6-dioxopiperidin-3-yl)naphtho[1,2-d][1,2]oxazol-6-yl]carbamoyl}methyl)piperazin-1-yl]methyl}cyclohexyl]-1H-pyrazol-4-yl]-1,3-oxazole-4-carboxamide hydrochloride
InChI key:ZKZLMQIPWHVOTO-GTTQRDAQSA-N

分子式:C46H50ClF2N11O6
分子量:926.42
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.FC(F)c1nn(cc1NC(=O)c1coc(n1)-c1ccnc(NCC2CC2)c1)[C@H]1CC[C@H](CN2CCN(CC(=O)Nc3cccc4c5c(noc5ccc34)C3CCC(=O)NC3=O)CC2)CC1
SMILES:Cl.FC(F)c1nn(cc1NC(=O)c1coc(n1)-c1ccnc(NCC2CC2)c1)[C@H]1CC[C@H](CN2CCN(CC(=O)Nc3cccc4c5c(noc5ccc34)C3CCC(=O)NC3=O)CC2)CC1

PROTAC IRAK4 degrader-12, 一种Cereblon配体基础的PROTAC，在K562细胞中展示出对IRAK4的最大降解效率为108.46%，其IC50值达到4.87 nM。(Structure Note: Pink,IRAQ4 Inhibitor; Blue,E3; Black, linker。)

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