| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| G421969-1ml |
1ml |
现货  |
|
| 英文别名 | AMY16731 | AC-29894 | C20H19N5O3 | AS-35128 | Q27269191 | 7MJ | s8484 | 3-Benzyl-N-[(3s)-5-Methyl-4-Oxo-2,3,4,5-Tetrahydro-1,5-Benzoxazepin-3-Yl]-1h-1,2,4-Triazole-5-Carboxamide | compound 5 [PMID: 28151659] | GSK2982772 | GSK-2982772 | SCHEMBL21678862 | |
|---|---|
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | GSK2982772 |
| 生化机理 | GSK2982772 是一种 ATP 竞争性受体相互作用蛋白-1（RIP1）激酶（RIPK1）抑制剂，IC50 值为 16 nM。它具有精湛的激酶特异性，在阻断多种 TNF 依赖性细胞反应方面具有出色的活性。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 抑制剂 |
| 作用机制 | 受体相互作用丝氨酸/苏氨酸激酶 1 抑制剂 |
| 产品介绍 |
Information GSK2982772 GSK2982772 is an ATP competitive receptor-interacting protein-1 (RIP1) kinase (RIPK1) inhibitor with the IC50 value of 16 nM. It has exquisite kinase specificity and excellent activity in blocking many TNF-dependent cellular responses. Targets human RIP1 (Cell-free assay) 16 nM In vitro GSK2982772 has excellent activity in both RIP1 cellular systems, preventing TNF induced necrotic cell death, and an ulcerative colitis explant assay blocking spontaneous cytokine release. In vivo GSK2982772 exhibits approximately equivalent RIP1 FP potency against human and monkey RIP1 but was significantly less potent against nonprimate RIP1. GSK2982772 displays a good free fraction in blood in rats (4.2%), dogs (11%), cynomolgus monkeys (11%), and humans (7.4%). The inhibitor has a good pharmacokinetic profile across both rats and monkeys. GSK2982772 distributes into a range of tissues including the colon, liver, kidney, and heart at concentrations comparable to those of blood. However, it has low brain penetration in rat (4%) despite possessing good cell permeability, which is likely due to active extrusion of GSK2982772 from the brain via the efflux drug transporter. It is predicted that GSK2982772 has high bioavailability, moderate to low clearance with a moderate volume, and a terminal half-life in the order of 12 h. |
| ALogP | 1.639 |
|---|---|
| hba_count | 5 |
| HBD Count | 2 |
| Rotatable Bond | 4 |
| 活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
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| 分子类型 | 小分子 |
|---|---|
| IUPAC Name | 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide |
| INCHI | InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1 |
| InChi Key | LYPAFUINURXJSG-AWEZNQCLSA-N |
| Canonical SMILES | CN1C2=CC=CC=C2OCC(C1=O)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4 |
| Isomeric SMILES | CN1C2=CC=CC=C2OC[C@@H](C1=O)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4 |
| 关联CAS | 1622848-92-3 |
| MeSH Entry Terms | 1H-1,2,4-Triazole-5-carboxamide, 3-(phenylmethyl)-N-((3S)-2,3,4,5-tetrahydro-5-methyl-4-oxo-1,5-benzoxazepin-3-yl)-;3-Benzyl-N-((3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)-1H-1,2,4-triazole-5-carboxamide;GSK2982772 |
| 分子量 | 377.4 |
| Reaxy-Rn | 40521590 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40521590&ln= |
| DMSO(mg / mL) Max Solubility | 75 |
|---|---|
| DMSO(mM) Max Solubility | 198.7281399 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 377.400 g/mol |
| XLogP3 | 2.400 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 5 |
| 可旋转键计数Rotatable Bond Count | 4 |
| 精确质量Exact Mass | 377.149 Da |
| 单同位素质量Monoisotopic Mass | 377.149 Da |
| 拓扑极表面积Topological Polar Surface Area | 100.000 Ų |
| 重原子数Heavy Atom Count | 28 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 568.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 1 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| Concentration | 9-11（mmol/L） |
|---|---|
| Proton NMR spectrum | Conforms to Structure |
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