| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| N422204-1ml |
1ml |
现货  |
|
| 英文别名 | 1H-Purine-2,6-dione,8-[[4-(cyclopropylcarbonyl)-1-piperazinyl]methyl]-3,7-dihydro-1,3-dimethyl-7-(3-methylbutyl)- |
|---|---|
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | NCT-501 |
| 生化机理 | NCT-501 是一种强效的醛脱氢酶 1A1 (ALDH1A1) 选择性抑制剂，IC50 为 40 nM。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
NCT-501是一种有效的选择性Aldehyde Dehydrogenase 1A1 (ALDH1A1)抑制剂，IC50为40 nM。 Information NCT-501 NCT-501 is a potent and selective inhibitor of Aldehyde Dehydrogenase 1A1 (ALDH1A1) with IC50 of 40 nM. Targets ALDH1A1 40 nM In vitro In Caco-2 cell line, NCT-501 exhibits excellent permeability. In vivo In CD1 Mice, NCT-501 is well absorbed and distributed but rapidly metabolized and/or excreted. |
| 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 | 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione |
| INCHI | 1S/C21H32N6O3/c1-14(2)7-8-27-16(22-18-17(27)20(29)24(4)21(30)23(18)3)13-25-9-11-26(12-10-25)19(28)15-5-6-15/h14-15H,5-13H2,1-4H3 |
| InChi Key | FSXIBBYWVGWQJL-UHFFFAOYSA-N |
| Smiles | CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4CC4 |
| Isomeric SMILES | CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4CC4 |
| 分子量 | 416.52 |
| Reaxy-Rn | 28421294 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28421294&ln= |
| 分子量 | 416.500 g/mol |
|---|---|
| XLogP3 | 0.800 |
| 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 | 6 |
| 精确质量Exact Mass | 416.254 Da |
| 单同位素质量Monoisotopic Mass | 416.254 Da |
| 拓扑极表面积Topological Polar Surface Area | 82.000 Ų |
| 重原子数Heavy Atom Count | 30 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 688.000 |
| 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 |
| RIDADR | NONHforallmodesoftransport |
|---|
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