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| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| C412506-5mg |
5mg |
现货 ![]() |
| |
| C412506-10mg |
10mg |
现货 ![]() |
| |
| C412506-25mg |
25mg |
现货 ![]() |
| |
| C412506-50mg |
50mg |
现货 ![]() |
| |
| C412506-100mg |
100mg |
现货 ![]() |
|
| 英文别名 | BS-14613 | SR-01000860687 | SMR001395197 | 6-(3,5-difluoroanilino)-9-ethylpurine-2-carbonitrile | Cruzain-IN-1 | D80998 | AKOS037515628 | ML092;ML 092;ML-092 | HMS2203P24 | Q27164166 | HY-10836 | (S)-benzyl?1-chloropropan-2-ylcarbamate | BCP29960 | ZXB523 |
|---|---|
| 规格或纯度 | ≥98% |
| 英文名称 | Cruzain-IN-1 |
| 生化机理 | Cruzain-IN-1 是一种锥虫半胱氨酸蛋白酶选择性抑制剂,也是一种共价可逆 Cruzain 抑制剂,IC50 为 10 nM。 |
| 储存温度 | -20°C储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
Information Cruzain-IN-1 Cruzain-IN-1 is a selective inhibitor of trypanosomal cysteine proteases and a covalent and reversible Cruzain inhibitor with IC50 of 10 nM. Targets Cruzain (Cell-free assay) 10 nM |
| 纯度 | ≥98% |
| ALogP | 2.801 |
|---|---|
| hba_count | 3 |
| HBD Count | 1 |
| Rotatable Bond | 3 |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| PubChem SID | 504770283 |
|---|---|
| 分子类型 | 小分子 |
| IIUPAC Name | 6-(3,5-difluoroanilino)-9-ethylpurine-2-carbonitrile |
| INCHI | 1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21) |
| InChi Key | SZYYBVWPURUFRR-UHFFFAOYSA-N |
| Smiles | CCN1C=NC2=C(N=C(N=C21)C#N)NC3=CC(=CC(=C3)F)F |
| Isomeric SMILES | CCN1C=NC2=C(N=C(N=C21)C#N)NC3=CC(=CC(=C3)F)F |
| 分子量 | 300.27 |
| Reaxy-Rn | 20129837 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20129837&ln= |
| 溶解性 | Solubility (25°C) In vitro DMSO: 60 mg/mL (199.82 mM); Water: Insoluble; Ethanol: Insoluble; |
|---|---|
| DMSO(mg / mL) Max Solubility | 60 |
| DMSO(mM) Max Solubility | 199.820161854331 |
| Water(mg / mL) Max Solubility | <1 |
| 分子量 | 300.270 g/mol |
| XLogP3 | 2.500 |
| 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 | 3 |
| 精确质量Exact Mass | 300.094 Da |
| 单同位素质量Monoisotopic Mass | 300.094 Da |
| 拓扑极表面积Topological Polar Surface Area | 79.400 Ų |
| 重原子数Heavy Atom Count | 22 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 430.000 |
| 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 |
¥542.90