| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| L422607-1ml |
1ml |
现货  |
|
| 英文别名 | s8919 | EX-A4934 | AC-36897 | NSC817042 | NSC-817042 | AKOS040733638 | MS-26689 | BCP33269 | IDO1-IN-5 | SCHEMBL19689648 | Benzamide, N-[(1R)-1-[2,3-dihydro-1-[(tetrahydro-2H-pyran-4-yl)carbonyl]-1H-indol-5-yl]ethyl]-4-fluoro- | N-[(1R)-1-[2,3-dihydro-1-[ |
|---|---|
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | LY-3381916 |
| 生化机理 | LY-3381916（IDO1-IN-5）是一种脑穿透性、强效和选择性吲哚胺 2,3-二氧酶 1（IDO1）抑制剂。LY-3381916 具有抗肿瘤活性。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
Information LY-3381916 LY-3381916 is a potent, selective and brain penetrated IDO1 inhibitor. Targets IDO1 |
| ALogP | 2.962 |
|---|---|
| hba_count | 3 |
| HBD Count | 1 |
| Rotatable Bond | 4 |
| 活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 | 4-fluoro-N-[(1R)-1-[1-(oxane-4-carbonyl)-2,3-dihydroindol-5-yl]ethyl]benzamide |
| INCHI | InChI=1S/C23H25FN2O3/c1-15(25-22(27)16-2-5-20(24)6-3-16)18-4-7-21-19(14-18)8-11-26(21)23(28)17-9-12-29-13-10-17/h2-7,14-15,17H,8-13H2,1H3,(H,25,27)/t15-/m1/s1 |
| InChi Key | NUBWFWVVKLRSHS-OAHLLOKOSA-N |
| Canonical SMILES | CC(C1=CC2=C(C=C1)N(CC2)C(=O)C3CCOCC3)NC(=O)C4=CC=C(C=C4)F |
| Isomeric SMILES | C[C@H](C1=CC2=C(C=C1)N(CC2)C(=O)C3CCOCC3)NC(=O)C4=CC=C(C=C4)F |
| 分子量 | 396.45 |
| Reaxy-Rn | 32156795 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32156795&ln= |
| DMSO(mg / mL) Max Solubility | 79 |
|---|---|
| DMSO(mM) Max Solubility | 199.268508008576 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 396.500 g/mol |
| XLogP3 | 2.900 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 4 |
| 可旋转键计数Rotatable Bond Count | 4 |
| 精确质量Exact Mass | 396.185 Da |
| 单同位素质量Monoisotopic Mass | 396.185 Da |
| 拓扑极表面积Topological Polar Surface Area | 58.600 Ų |
| 重原子数Heavy Atom Count | 29 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 587.000 |
| 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 | 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 | 32156795 |
|---|---|
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32156795&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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