| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| T614344-5mg |
5mg |
期货  |
| |
| T614344-25mg |
25mg |
期货 |
|
| 别名 | TBK1 蛋白 |
|---|---|
| 英文别名 | compound 3i |
| 规格或纯度 | Moligand™ |
| 英文名称 | TBK1 PROTAC 3i |
| 作用类型 | 抑制剂 |
| 作用机制 | TANK 结合激酶 1 抑制剂 |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IIUPAC Name | (2S,4R)-1-[(2S)-2-[[2-[3-[4-[3-[4-[[5-bromo-4-[3-[cyclobutanecarbonyl(methyl)amino]propylamino]pyrimidin-2-yl]amino]phenoxy]propoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide |
| INCHI | 1S/C53H74BrN9O9S/c1-36-46(73-35-58-36)38-16-14-37(15-17-38)31-56-49(66)44-30-41(64)33-63(44)51(68)47(53(2,3)4)60-45(65)34-71-28-10-26-69-24-6-7-25-70-27-11-29-72-42-20-18-40(19-21-42)59-52-57-32-43(54)48(61-52)55-22-9-23-62(5)50(67)39-12-8-13-39/h14-21,32,35,39,41,44,47,64H,6-13,22-31,33-34H2,1-5H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t41-,44+,47-/m1/s1 |
| InChi Key | QMGHHBHPDDAGGO-IIWOMYBWSA-N |
| Smiles | Cc1c(scn1)c1ccc(cc1)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)COCCCOCCCCOCCCOc1ccc(cc1)Nc1ncc(c(n1)NCCCN(C)C(=O)C1CCC1)Br)O |
| Isomeric SMILES | CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCCOCCCCOCCCOC4=CC=C(C=C4)NC5=NC=C(C(=N5)NCCCN(C)C(=O)C6CCC6)Br)O |
| PubChem CID | 124108661 |
| 1. Crew AP, Raina K, Dong H, Qian Y, Wang J, Vigil D, Serebrenik YV, Hamman BD, Morgan A, Ferraro C et al.. (2018) Identification and Characterization of Von Hippel-Lindau-Recruiting Proteolysis Targeting Chimeras (PROTACs) of TANK-Binding Kinase 1.. J Med Chem, 61 (2): (583-598). [PMID:28692295] |
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