| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| B420250-1ml |
1ml |
现货  |
|
| 英文别名 | 1000998-59-3 | BMS687453 | BMS-687453 | FT-0749275 | AKOS030526188 | EX-A592 | Glycine, N-[[3-[[2-(4-chlorophenyl)-5-methyl-4-oxazolyl]methoxy]phenyl]methyl]-N-(methoxycarbonyl)- | SCHEMBL2742714 | 7HA | Q27256930 | AS-77790 | BDBM28800 | J-690001 | BCP14 |
|---|---|
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | BMS-687453 |
| 生化机理 | BMS-687453（化合物 2）是一种强效的 PPARα 选择性激动剂，对人类 PPARα 的 EC50 为 10 nM，IC50 为 260 nM。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
Information BMS-687453 (compound 2) is a potent and selective agonist ofPPARαwith EC50 of 10 nM and IC50 of 260 nM for human PPARα. Targets PPARα (Cell-free assay); PPARα (Cell-free assay) 10 nM(EC50); 260 nM |
| IC50 | PPARα, IC50: 260 nM; PPARα, EC50: 10 nM |
|---|---|
| ALogP | 3.702 |
| hba_count | 6 |
| Rotatable Bond | 9 |
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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 | 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid |
| INCHI | InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) |
| InChi Key | UJIBXDMNCMEJAY-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)COC3=CC=CC(=C3)CN(CC(=O)O)C(=O)OC |
| Isomeric SMILES | CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)COC3=CC=CC(=C3)CN(CC(=O)O)C(=O)OC |
| 分子量 | 444.86 |
| Reaxy-Rn | 13032527 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13032527&ln= |
| DMSO(mg / mL) Max Solubility | 89 |
|---|---|
| DMSO(mM) Max Solubility | 200.062941150025 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 444.900 g/mol |
| XLogP3 | 3.800 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 7 |
| 可旋转键计数Rotatable Bond Count | 9 |
| 精确质量Exact Mass | 444.109 Da |
| 单同位素质量Monoisotopic Mass | 444.109 Da |
| 拓扑极表面积Topological Polar Surface Area | 102.000 Ų |
| 重原子数Heavy Atom Count | 31 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 601.000 |
| 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 |
P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 |
| Reaxy-Rn | 13032527 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13032527&ln= |
| Concentration | 9-11（mmol/L） |
|---|---|
| Proton NMR spectrum | Conforms to Structure |
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