计算溶液所需的质量、体积或浓度。
活性类型 | 活性值-log(M) | 作用机制 | 期刊 | 参考文献(PubMed IDs) |
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货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
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M422352-1ml |
1ml |
现货 ![]() |
|
英文别名 | MELK-8a HCl |
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规格或纯度 | 10mM in Water |
英文名称 | MELK-8a hydrochloride |
生化机理 | MELK-8a 盐酸盐是一种新型母体胚胎亮氨酸拉链激酶(MELK)抑制剂,IC50 为 2 nM。 |
储存温度 | -80℃储存 |
运输条件 | 超低温冰袋运输 |
产品介绍 |
Information MELK-8a hydrochloride is a novel inhibitor of maternal embryonic leucine zipper kinase (MELK) with IC50 of 2 nM. |
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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 |
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IUPAC Name | 1-methyl-4-[4-[4-[3-(piperidin-4-ylmethoxy)pyridin-4-yl]pyrazol-1-yl]phenyl]piperazine |
INCHI | InChI=1S/C25H32N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3 |
InChi Key | BLFBSGVUERKSST-UHFFFAOYSA-N |
Canonical SMILES | CN1CCN(CC1)C2=CC=C(C=C2)N3C=C(C=N3)C4=C(C=NC=C4)OCC5CCNCC5 |
Isomeric SMILES | CN1CCN(CC1)C2=CC=C(C=C2)N3C=C(C=N3)C4=C(C=NC=C4)OCC5CCNCC5 |
PubChem CID | 119058124 |
分子量 | 432.6 |
分子量 | 432.600 g/mol |
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XLogP3 | 2.700 |
氢键供体数Hydrogen Bond Donor Count | 1 |
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 | 432.264 Da |
单同位素质量Monoisotopic Mass | 432.264 Da |
拓扑极表面积Topological Polar Surface Area | 58.500 Ų |
重原子数Heavy Atom Count | 32 |
形式电荷Formal Charge | 0 |
复杂度Complexity | 557.000 |
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(Compounding value) | 9.0-11.0(mmol/L) |
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Appearance(yellow liquid) | Pass |
Record the entire process by video | Conform |