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) |
---|
货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
---|---|---|---|---|
G421376-1ml |
1ml |
现货 ![]() |
|
英文别名 | Imidazo[1,2-a]pyridine-6-carboxamide,N-[[4-[(3,5-difluorophenyl)sulfonyl]phenyl]methyl]- |
---|---|
规格或纯度 | 10mM in DMSO |
英文名称 | GNE-617 |
生化机理 | GNE-617 是一种高效的 NAMPT 活性抑制剂,IC50 为 5 nM。 |
储存温度 | -80℃储存 |
运输条件 | 超低温冰袋运输 |
产品介绍 |
Information GNE-617 GNE-617 is a highly potent inhibitor of NAMPT activity with an IC50 of 5 nM. Targets NAMPT (Cell-free assay) 5 nM |
ALogP | 2.875 |
---|---|
hba_count | 4 |
HBD Count | 1 |
Rotatable Bond | 5 |
活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
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 | N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide |
INCHI | InChI=1S/C21H15F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-11,13H,12H2,(H,25,27) |
InChi Key | XRDVXQQZLHVEQZ-UHFFFAOYSA-N |
Canonical SMILES | C1=CC(=CC=C1CNC(=O)C2=CN3C=CN=C3C=C2)S(=O)(=O)C4=CC(=CC(=C4)F)F |
Isomeric SMILES | C1=CC(=CC=C1CNC(=O)C2=CN3C=CN=C3C=C2)S(=O)(=O)C4=CC(=CC(=C4)F)F |
分子量 | 427.42 |
Reaxy-Rn | 22322434 |
Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22322434&ln= |
DMSO(mg / mL) Max Solubility | 42 |
---|---|
DMSO(mM) Max Solubility | 98.2640026203734 |
Water(mg / mL) Max Solubility | <1 |
分子量 | 427.400 g/mol |
XLogP3 | 3.500 |
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 | 5 |
精确质量Exact Mass | 427.08 Da |
单同位素质量Monoisotopic Mass | 427.08 Da |
拓扑极表面积Topological Polar Surface Area | 88.900 Ų |
重原子数Heavy Atom Count | 30 |
形式电荷Formal Charge | 0 |
复杂度Complexity | 699.000 |
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) |
---|---|
Appearance(Colorless Transparent Liquid) | Pass |
Record the entire process by video | Conform |