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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B422603-1ml |
1ml |
现货 ![]() |
|
英文别名 | 1H-Pyrazole-1-acetamide,4-[4-(4-isoquinolinyl)phenyl]-N,N-dimethyl- |
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规格或纯度 | 10mM in DMSO |
英文名称 | BI-1347 |
生化机理 | BI-1347 是细胞周期蛋白依赖性激酶 8(CDK8)的小分子抑制剂,IC50 为 1.1 nM。 |
储存温度 | -80℃储存 |
运输条件 | 超低温冰袋运输 |
产品介绍 |
BI-1347是Cyclin-dependent kinase 8(CDK8)的小分子抑制剂,IC50为1.1 nM。 Information BI-1347 BI-1347 is small molecule inhibitor of Cyclin-dependent kinase 8(CDK8) with IC50 of 1.1 nM. Targets CDK8 (Cell-free assay) 1.1 nM |
ALogP | 2.54 |
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hba_count | 3 |
Rotatable Bond | 4 |
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活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 | 未知 |
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IUPAC Name | 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-N,N-dimethylacetamide |
INCHI | InChI=1S/C22H20N4O/c1-25(2)22(27)15-26-14-19(12-24-26)16-7-9-17(10-8-16)21-13-23-11-18-5-3-4-6-20(18)21/h3-14H,15H2,1-2H3 |
InChi Key | WULUGQONDYDNKY-UHFFFAOYSA-N |
Canonical SMILES | CN(C)C(=O)CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=CC4=CC=CC=C43 |
Isomeric SMILES | CN(C)C(=O)CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=CC4=CC=CC=C43 |
分子量 | 356.42 |
Reaxy-Rn | 32145760 |
Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32145760&ln= |
DMSO(mg / mL) Max Solubility | 71 |
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DMSO(mM) Max Solubility | 199.203187250996 |
Water(mg / mL) Max Solubility | <1 |
分子量 | 356.400 g/mol |
XLogP3 | 3.300 |
氢键供体数Hydrogen Bond Donor Count | 0 |
氢键受体数Hydrogen Bond Acceptor Count | 3 |
可旋转键计数Rotatable Bond Count | 4 |
精确质量Exact Mass | 356.164 Da |
单同位素质量Monoisotopic Mass | 356.164 Da |
拓扑极表面积Topological Polar Surface Area | 51.000 Ų |
重原子数Heavy Atom Count | 27 |
形式电荷Formal Charge | 0 |
复杂度Complexity | 503.000 |
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 |
Reaxy-Rn | 32145760 |
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Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32145760&ln= |
Concentration(Compounding value) | 9-11(mmol/L) |
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Appearance(Colorless Transparent Liquid) | Pass |
Record the entire process by video | Conform |