Name: PROTAC IRAK4 degrader-2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912631
Cas No:2374122-27-5
常用名:PROTAC IRAK4 degrader-2
IUPAC:1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-4-{3-[9-(5-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]prop-1-yn-1-yl}-7-methoxyisoquinoline-6-carboxamide
IUPAC:1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-4-{3-[9-(5-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]prop-1-yn-1-yl}-7-methoxyisoquinoline-6-carboxamide
InChI key:InChIKey=VCCDOPPWOSIMCD-LLCFZETMSA-N

分子式:C57H68FN11O8S
分子量:1086.3
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H]1[C@@H](COc2ncc(C#CCN3CCC4(CC3)CCN(CC4)c3ncc(cn3)C(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F
SMILES:CC[C@H]1[C@@H](COc2ncc(C#CCN3CCC4(CC3)CCN(CC4)c3ncc(cn3)C(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F

PROTACIRAK4 degrader-2 (Compound 9) 是一种 PROTACIRAK4降解剂，在外周血单个核细胞 (PBMC) 中，降解 IRAK4，DC50为 151 nM。PROTACIRAK4 Degrader-2 在 PBMC 细胞中诱导 IRAK4蛋白水平降低，DC50为 36 nM。PROTACIRAK4 degrader-2 还抑制 PBMC 中多种细胞因子释放。

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