| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| A421656-1ml |
1ml |
现货  |
|
| 英文别名 | Glycinamide,1-(4-cyano-2-pyridinyl)-5-oxo-L-prolyl-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-N2-(5-fluoro-3-pyridinyl)- |
|---|---|
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | AG-120 (racemic) |
| 生化机理 | AG-120（外消旋）是 AG-120 的外消旋混合物，是一种具有潜在抗肿瘤活性的 1 型异柠檬酸脱氢酶（IDH1）口服抑制剂。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 抑制剂 |
| 产品介绍 |
Information AG-120 (racemic) AG-120 (racemic), the racemic mixture of AG-120, is an orally available inhibitor of isocitrate dehydrogenase type 1 (IDH1) with potential antineoplastic activity. Targets IDH1 |
| ALogP | 4.236 |
|---|---|
| hba_count | 4 |
| HBD Count | 1 |
| Rotatable Bond | 7 |
| 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 |
|---|---|
| IIUPAC Name | (2S)-N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide |
| INCHI | 1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25?/m0/s1 |
| InChi Key | WIJZXSAJMHAVGX-XADRRFQNSA-N |
| Smiles | C1CC(=O)N(C1C(=O)N(C2=CC(=CN=C2)F)C(C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N |
| Isomeric SMILES | C1CC(=O)N([C@@H]1C(=O)N(C2=CC(=CN=C2)F)C(C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N |
| 分子量 | 582.96 |
| Reaxy-Rn | 39859942 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39859942&ln= |
| DMSO(mg / mL) Max Solubility | 100 |
|---|---|
| DMSO(mM) Max Solubility | 171.538355976396 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 583.000 g/mol |
| XLogP3 | 3.400 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 9 |
| 可旋转键计数Rotatable Bond Count | 7 |
| 精确质量Exact Mass | 582.139 Da |
| 单同位素质量Monoisotopic Mass | 582.139 Da |
| 拓扑极表面积Topological Polar Surface Area | 119.000 Ų |
| 重原子数Heavy Atom Count | 41 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 1050.000 |
| 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 | 1 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 1 |
| 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 |
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