| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| I422068-1ml |
1ml |
现货  |
|
| 规格或纯度 | 10mM in DMSO |
|---|---|
| 英文名称 | IDO inhibitor 1 |
| 生化机理 | IDO 抑制剂 1 是一种强效的 IDO（吲哚胺-(2,3)-二氧化酶）抑制剂，其 IC50 值为 3 nM。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
Information IDO inhibitor 1 IDO inhibitor 1 is a potent inhibitor of IDO (indoleamine-(2,3)-dioxygenase) with IC50 of 3 nM. Targets IDO 3 nM |
| ALogP | 6.102 |
|---|---|
| hba_count | 4 |
| HBD Count | 3 |
| Rotatable Bond | 9 |
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| 活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 | 1-[2-[bis(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(4-methylphenyl)urea |
| INCHI | InChI=1S/C29H35N7O/c1-19(2)17-36(18-20(3)4)27-15-12-22(24-8-6-7-9-25(24)28-32-34-35-33-28)16-26(27)31-29(37)30-23-13-10-21(5)11-14-23/h6-16,19-20H,17-18H2,1-5H3,(H2,30,31,37)(H,32,33,34,35) |
| InChi Key | CJNMMPAEIYFQIJ-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C3=CC=CC=C3C4=NNN=N4)N(CC(C)C)CC(C)C |
| Isomeric SMILES | CC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C3=CC=CC=C3C4=NNN=N4)N(CC(C)C)CC(C)C |
| 分子量 | 497.63 |
| Reaxy-Rn | 54924556 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=54924556&ln= |
| DMSO(mg / mL) Max Solubility | 99 |
|---|---|
| DMSO(mM) Max Solubility | 198.9429898 |
| 分子量 | 497.600 g/mol |
| XLogP3 | 6.500 |
| 氢键供体数Hydrogen Bond Donor Count | 3 |
| 氢键受体数Hydrogen Bond Acceptor Count | 5 |
| 可旋转键计数Rotatable Bond Count | 9 |
| 精确质量Exact Mass | 497.29 Da |
| 单同位素质量Monoisotopic Mass | 497.29 Da |
| 拓扑极表面积Topological Polar Surface Area | 98.800 Ų |
| 重原子数Heavy Atom Count | 37 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 686.000 |
| 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 |
| Concentration | 9-11（mmol/L） |
|---|---|
| Proton NMR spectrum | Conforms to Structure |
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