| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| X421017-1ml |
1ml |
现货  |
|
| 别名 | 5,11-二氢-2-[[[2-甲氧基-4-(4-甲基-1-哌嗪基)苯基]氨基] -11-甲基-6H-嘧啶基[4,5-b] [1,4]苯并二氮杂pin -6-1 |
|---|---|
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | XMD 8-87 |
| 生化机理 | 强大的Ack1 / TNK2抑制剂（Ba / F3细胞系中IC50 = 38和113 nM，分别包含与白血病相关的D163E和R806Q突变）。阻止含有实体肿瘤型截断突变的TNK2受体的磷酸化。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
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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 | 2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one |
| INCHI | InChI=1S/C24H27N7O2/c1-29-10-12-31(13-11-29)16-8-9-18(21(14-16)33-3)27-24-25-15-19-22(28-24)30(2)20-7-5-4-6-17(20)23(32)26-19/h4-9,14-15H,10-13H2,1-3H3,(H,26,32)(H,25,27,28) |
| InChi Key | LGLHCXISMKHLIK-UHFFFAOYSA-N |
| Canonical SMILES | CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4)C)OC |
| Isomeric SMILES | CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4)C)OC |
| PubChem CID | 53322923 |
| 分子量 | 445.52 |
| 分子量 | 445.500 g/mol |
|---|---|
| XLogP3 | 2.900 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 8 |
| 可旋转键计数Rotatable Bond Count | 4 |
| 精确质量Exact Mass | 445.223 Da |
| 单同位素质量Monoisotopic Mass | 445.223 Da |
| 拓扑极表面积Topological Polar Surface Area | 85.900 Ų |
| 重原子数Heavy Atom Count | 33 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 673.000 |
| 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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