| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| A426154-1ml |
1ml |
现货  |
|
| 英文别名 | BCP10207 | HY-Y1031A | ISOPROPYL 4-{[1-(2-FLUORO-4-METHANESULFONYLPHENYL)PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]OXY}PIPERIDINE-1-CARBOXYLATE | propan-2-yl 4-{[1-(2-fluoro-4-methanesulfonylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}piperidine-1-carboxylate | SCHE |
|---|---|
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | APD668 |
| 生化机理 | APD668 (JNJ28630368) 是一种强效 GPR119 激动剂，对人类和大鼠的 EC50 分别为 2.7 和 33 nM。 |
| 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 |
APD668是有效的GPR119激动剂，对人源GPR119和大鼠GPR119的EC50值分别为2.7 nM和33 nM。 Information APD668 APD668 (JNJ28630368) is a potent GPR119 agonist with EC50s of 2.7 and 33 nM for human and rat forms, respectively. Targets human GPR119 ; rat GPR119 2.7 nM(EC50); 33 nM(EC50) In vitro APD668 is shown to increase adenylate cyclase activation in HEK293 cells transfected with human GPR119 (but not in non-transfected cells) in a concentration-dependent manner with an EC50 of 23 nM. APD668 also enhanced insulin release from both rat and human isolated pancreatic islets in a glucose-dependent manner. In a standard panel of around 80 known receptors and ion channels, APD668 did not show any binding in excess of 50% of control to any other proteins at concentrations up to 10 μM. In vivo Chronic treatment with APD668 showed that blood glucose and glycated hemoglobin (HbA1c) levels could be significantly reduced in Zucker Diabetic Fatty (ZDF) rats over several weeks of dosing. APD668 is highly bound to plasma proteins of male and female cynomolgus monkeys and humans (P99%), but was less extensively bound to male (93.0%) and female (96.6%) rats. In pharmacokinetic assessments across multiple species using single oral doses of APD668, absorption was rapid to moderate (Tmax 62 h) in mice, Sprague-Dawley (SD) rats, and monkeys, but slower in dogs (Tmax = 6 h) and showed a dose-dependent increase in rats and monkeys. In general, exposure was dose-dependent at lower doses and appeared to plateau at doses greater than 300 mg/kg. Exposure was greater in female rats compared with males. Absolute oral bioavailability was moderate to good in mice, rats, and monkeys (44–79%), but was lower in dogs (22%). The volume of distribution (Vdss) values were somewhat variable ranging from 0.1 L/kg in monkey to 2.6 L/kg in rats. Elimination, based on mean T1/2 after intravenous (iv) dosing, was rapid to moderate in mice, rats, dogs, and monkeys (0.8-3.9 h). The pharmacokinetic profile of APD668 in Zucker fa/fa rats was somewhat different from that in SD rats. After oral administration, the tmax and T1/2 were longer, and the AUC and the oral bioavailability were greater in the Zucker compared with the SD rats. Following iv administration, the Zucker rats also had larger AUC values, longer T1/2 values and greater Vdss values. |
| ALogP | 2.67 |
|---|---|
| hba_count | 8 |
| Rotatable Bond | 6 |
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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-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate |
| INCHI | InChI=1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3 |
| InChi Key | XTRUQJBVQBUKSQ-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)S(=O)(=O)C)F |
| Isomeric SMILES | CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)S(=O)(=O)C)F |
| 分子量 | 477.51 |
| Reaxy-Rn | 12177292 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12177292&ln= |
| DMSO(mg / mL) Max Solubility | 96 |
|---|---|
| DMSO(mM) Max Solubility | 201.042910096124 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 477.500 g/mol |
| XLogP3 | 2.700 |
| 氢键供体数Hydrogen Bond Donor Count | 0 |
| 氢键受体数Hydrogen Bond Acceptor Count | 9 |
| 可旋转键计数Rotatable Bond Count | 6 |
| 精确质量Exact Mass | 477.148 Da |
| 单同位素质量Monoisotopic Mass | 477.148 Da |
| 拓扑极表面积Topological Polar Surface Area | 125.000 Ų |
| 重原子数Heavy Atom Count | 33 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 788.000 |
| 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 |
| 象形图 | GHS07 |
|---|---|
| 信号词 | Warning |
| 危险声明 |
H315: 引起皮肤刺激 H319: 引起严重眼睛刺激 H335: 可能引起呼吸道刺激 H302: 吞食有害 |
| 预防措施声明 |
P264: 处理后要彻底洗手。 P270: 使用本产品时，请勿进食、饮水或吸烟。 P301+P312+P330: 如误吞咽：如感觉不适，呼叫急救中心/医生。漱口 |
| Reaxy-Rn | 12177292 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12177292&ln= |
| Concentration | 9-11（mmol/L） |
|---|---|
| Proton NMR spectrum | Conforms to Structure |
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