| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| A426734-1ml |
1ml |
现货  |
|
| 英文别名 | 3-Hydroxy-6-nitro-7-sulfamoyl-benzo[f]quinoxalin-2-ol anion | DB12084 | 4-[6-(6-methanesulfonyl-2-methyl-pyridin-3-ylamino)-5-methoxy-pyrimidin-4-yloxy]-piperidine-1-carboxylic acid isopropyl ester | 345354O7AT | 4-((6-((6-METHYLSULFONYL-2-METHYLPYRIDIN-3 |
|---|---|
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | APD597 |
| 生化机理 | APD-597 (JNJ-38431055) 是一种强效的选择性 G 蛋白偶联受体 119 (GPR119) 激动剂，对 hGPR119 的 EC50 为 46 nM，是细胞色素 P450 2C9 (CYP2C9) 的抑制剂，IC50 为 5.8 μM。APD-597 (JNJ-38431055)用于治疗 2 型糖尿病（T2D）。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 激动剂 |
| 作用机制 | GPR119 的激动剂 |
| 产品介绍 |
APD597 (JNJ-38431055) 是 GPR119 激动剂, 作用于 hGPR119, EC50 为 46 nM, 可用于研究 2 型糖尿病。 Information APD-597 (JNJ-38431055) is a potent and selectiveG protein-coupled receptor 119 (GPR119)agonist with EC50 of 46 nM for hGPR119 and an inhibitor ofCytochrome P450 2C9 (CYP2C9)with IC50 of 5.8 μM. APD-597 (JNJ-38431055) is developed for treating Type 2 diabetes (T2D). Targets hGPR119 (Cell-free assay); CYP2C9 (Cell-free assay) 46 nM(EC50); 5.8 μM |
| IC50 | CYP2C9, IC50: 5.8 μM |
|---|---|
| ALogP | 2.583 |
| hba_count | 9 |
| HBD Count | 1 |
| Rotatable Bond | 8 |
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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 | propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-methylsulfonylpyridin-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate |
| INCHI | InChI=1S/C21H29N5O6S/c1-13(2)31-21(27)26-10-8-15(9-11-26)32-20-18(30-4)19(22-12-23-20)25-16-6-7-17(24-14(16)3)33(5,28)29/h6-7,12-13,15H,8-11H2,1-5H3,(H,22,23,25) |
| InChi Key | WPDCHTSXOPUOII-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(C=CC(=N1)S(=O)(=O)C)NC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)OC(C)C)OC |
| Isomeric SMILES | CC1=C(C=CC(=N1)S(=O)(=O)C)NC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)OC(C)C)OC |
| 关联CAS | 897732-93-3 |
| MeSH Entry Terms | APD597 |
| 分子量 | 479.55 |
| Reaxy-Rn | 12625991 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12625991&ln= |
| DMSO(mg / mL) Max Solubility | 96 |
|---|---|
| DMSO(mM) Max Solubility | 200.1876759462 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 479.600 g/mol |
| XLogP3 | 2.500 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 10 |
| 可旋转键计数Rotatable Bond Count | 8 |
| 精确质量Exact Mass | 479.184 Da |
| 单同位素质量Monoisotopic Mass | 479.184 Da |
| 拓扑极表面积Topological Polar Surface Area | 141.000 Ų |
| 重原子数Heavy Atom Count | 33 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 740.000 |
| 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 | 12625991 |
|---|---|
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12625991&ln= |
| Concentration | 9-11（mmol/L） |
|---|---|
| Proton NMR spectrum | Conforms to Structure |
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