| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| V422537-1ml |
1ml |
现货  |
|
| 英文别名 | BCPP000015 | s1458 | BRD-K91900765-001-01-9 | Kinome_3767 | 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]pyrimido[1,6-b]pyridazin-6-one | 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one | 5T-0205 | CCG-269082 | AC |
|---|---|
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | VX-745 |
| 生化机理 | VX-745 是一种高效、选择性的 p38α 抑制剂（IC50 = 10 nM）。VX-745 还能阻止体外 LPS 刺激的 HWB 产生 TNFα（IC50 = 177 nM）。VX-745 对 ERK1、MK2 和 JNK1-3 等密切相关的激酶具有 1000 倍的选择性。VX-745 是一种强效、选择性 p38 alpha\xa0MAPK 抑制剂（IC50 = 10 nM），对 p38 beta\xa0 的选择性为 20 倍，对密切相关的激酶 ERK1 和 JNK1-3 的选择性为 1000 倍。VX-745 对 p38α 的选择性是 p38β 的 20 倍，Ki 值为 220 nM。研究表明，VX-745 可减轻关节炎（AIA）小鼠模型的炎症反应，并可改善老年大鼠的表现。 |
| 储存温度 | 避光,-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 | MAP 激酶 p38 alpha 抑制剂 |
| 产品介绍 |
Neflamapimod (VX-745) 是有效的，可穿过血脑屏障的，高选择性的 p38α 抑制剂，对 p38α 的 IC50 值为 10 nM，p38β 的 IC50 值为 220 nM。Neflamapimod (VX-745) 具有抗炎活性。 |
| ALogP | 5.1 |
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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 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IUPAC Name | 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one |
| INCHI | InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H |
| InChi Key | VEPKQEUBKLEPRA-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=NN3C=NC2=O)SC4=C(C=C(C=C4)F)F)Cl |
| Isomeric SMILES | C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=NN3C=NC2=O)SC4=C(C=C(C=C4)F)F)Cl |
| PubChem CID | 3038525 |
| 分子量 | 436.27 |
| 敏感性 | 对光敏感 |
|---|---|
| 熔点 | 259-262°C (dec.) |
| 分子量 | 436.300 g/mol |
| XLogP3 | 5.100 |
| 氢键供体数Hydrogen Bond Donor Count | 0 |
| 氢键受体数Hydrogen Bond Acceptor Count | 5 |
| 可旋转键计数Rotatable Bond Count | 3 |
| 精确质量Exact Mass | 434.981 Da |
| 单同位素质量Monoisotopic Mass | 434.981 Da |
| 拓扑极表面积Topological Polar Surface Area | 70.300 Ų |
| 重原子数Heavy Atom Count | 28 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 762.000 |
| 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 | 0 |
| 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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