| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| A424014-1ml |
1ml |
现货  |
|
| 英文别名 | 1H-Pyrazolo[3,4-d]pyrimidin-6-amine,1-[(2-fluorophenyl)methyl]-4-(2-furanyl)- |
|---|---|
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | A2AR antagonist 1 |
| 生化机理 | A2AR 拮抗剂 1 是一种强效 A2AR（腺苷 A2A 受体）拮抗剂，对 A2AR 和 A1R 的 Ki 值分别为 4 nM 和 264 nM。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
Information A2AR antagonist 1 A2AR antagonist 1 is a potent A2AR (Adenosine A2A Receptor) antagonist with Ki values of 4 nM and 264 nM for A2AR and A1R, respectively. Targets A2AR (Cell-free); A1R (Cell-free) 4 nM(Ki); 264 nM(Ki) |
| ALogP | 3.005 |
|---|---|
| hba_count | 4 |
| HBD Count | 1 |
| Rotatable Bond | 3 |
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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 | 1-[(2-fluorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine |
| INCHI | InChI=1S/C16H12FN5O/c17-12-5-2-1-4-10(12)9-22-15-11(8-19-22)14(20-16(18)21-15)13-6-3-7-23-13/h1-8H,9H2,(H2,18,20,21) |
| InChi Key | JEEJMSUHUZNTCD-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C(=C1)CN2C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)F |
| Isomeric SMILES | C1=CC=C(C(=C1)CN2C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)F |
| 分子量 | 309.3 |
| Reaxy-Rn | 14251892 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14251892&ln= |
| DMSO(mg / mL) Max Solubility | 61 |
|---|---|
| DMSO(mM) Max Solubility | 197.219528 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 309.300 g/mol |
| XLogP3 | 2.300 |
| 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 | 3 |
| 精确质量Exact Mass | 309.103 Da |
| 单同位素质量Monoisotopic Mass | 309.103 Da |
| 拓扑极表面积Topological Polar Surface Area | 82.800 Ų |
| 重原子数Heavy Atom Count | 23 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 414.000 |
| 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 | 14251892 |
|---|---|
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14251892&ln= |
| Concentration(Compounding value) | 9.0-11.0(mmol/L) |
|---|---|
| Appearance(Colorless Transparent Liquid) | Pass |
| Record the entire process by video | Conform |
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