| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| M422468-1ml |
1ml |
现货  |
|
| 英文别名 | N-(2-((R)-1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)ethyl)-4-(trifluoromethoxy)benzamide |
|---|---|
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | ML390 |
| 生化机理 | ML390 是一种人类 DHODH 抑制剂，其 IC50 值为 0.56 μM，可诱导急性髓性白血病的分化。 |
| 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 |
| 产品介绍 |
Information ML390 ML390 is a human DHODH inhibitor with an IC50 of 0.56 μM and induces differentiation in acute myeloid leukemia. Targets DHODH (Cell-free assay) 0.56 μM In vitro ML390 was active with an ED50 (effective concentration triggering 50% of its maximal differentiation activity) of 2 μM in murine and human AML cell lines, offering insight into the mechanism of overcoming differentiation arrest. DHODH inhibitors demonstrated effective at prolonging survival in animal models of leukemia. Cell Research(from reference) Cell lines：Lys-GFP-ER-HoxA9 cells Concentrations：10 μM Incubation Time：48 h |
| ALogP | 5.065 |
|---|---|
| HBD Count | 2 |
| Rotatable Bond | 7 |
| 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 | N-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-4-(trifluoromethoxy)benzamide |
| INCHI | 1S/C21H21F3N2O3/c22-21(23,24)29-16-10-8-15(9-11-16)20(28)25-13-12-19(27)26-18-7-3-5-14-4-1-2-6-17(14)18/h1-2,4,6,8-11,18H,3,5,7,12-13H2,(H,25,28)(H,26,27)/t18-/m1/s1 |
| InChi Key | SGNRHEDBLPGDDC-GOSISDBHSA-N |
| Smiles | C1CC(C2=CC=CC=C2C1)NC(=O)CCNC(=O)C3=CC=C(C=C3)OC(F)(F)F |
| Isomeric SMILES | C1C[C@H](C2=CC=CC=C2C1)NC(=O)CCNC(=O)C3=CC=C(C=C3)OC(F)(F)F |
| PubChem CID | 71768304 |
| 分子量 | 406.4 |
| DMSO(mg / mL) Max Solubility | 81 |
|---|---|
| DMSO(mM) Max Solubility | 199.3110236 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 406.400 g/mol |
| XLogP3 | 3.900 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 6 |
| 可旋转键计数Rotatable Bond Count | 6 |
| 精确质量Exact Mass | 406.15 Da |
| 单同位素质量Monoisotopic Mass | 406.15 Da |
| 拓扑极表面积Topological Polar Surface Area | 67.400 Ų |
| 重原子数Heavy Atom Count | 29 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 562.000 |
| 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 |
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