计算溶液所需的质量、体积或浓度。
This is a demo store. No orders will be fulfilled.
| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| F333868-1mg |
1mg |
现货 ![]() |
| |
| F333868-5mg |
5mg |
现货 ![]() |
|
| 英文别名 | 2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl dihydrogen phosphate | FTY720-phosphate | Moxifloxacin [INN:BAN] | fingolimod-phosphate | RAC FTY 720 PHOSPHATE | GTPL2924 | 2- amino- 2[2- (4- octylphenyl)ethyl]- 1, 3- propanediol, mono dihydrogen phospha |
|---|---|
| 规格或纯度 | Moligand™, ≥95% |
| 英文名称 | FTY720 Phosphate |
| 储存温度 | -20°C储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 激动剂 |
| 作用机制 | S1P 1 受体激动剂;S1P 2 受体激动剂;S1P 3 受体激动剂;S1P 4 受体激动剂;S1P 5 受体激动剂 |
| 产品介绍 |
FTY720磷酸酯是ISP-1(myriocin)的衍生物,它是中草药伊斯卡里亚(Iscaria sinclarii)的真菌代谢产物,是鞘氨醇的结构类似物。FTY720是一种新型的免疫调节剂,可通过抑制淋巴细胞从淋巴器官的迁移而在许多模型中延长同种异体移植的存活。它被鞘氨醇激酶磷酸化为具有生理活性的磷酸酯。FTY720磷酸酯对1个鞘氨醇磷酸酯(S1P)受体(EDG-1,EDG-3,EDG-4和EDG-5)起有效的激动剂作用,IC | 50 |值为0.2-6 nM 。 FTY720 Phosphate is a derivative of ISP-1 (myriocin) that is a fungal metabolite of the Chinese herb|Iscaria sinclarii|and a structural analog of sphingosine. FTY720 is a novel immune modulator that prolongs allograft transplant survival in numerous models by inhibiting lymphocyte emigration from lymphoid organs. It is phosphorylated by sphingosine kinase to the physiologically active phosphoric acid ester. FTY720 phosphate acts as a potent agonist at four of the sphingosine-1-phosphate (S1P) receptors (EDG-1, EDG-3, EDG-4, and EDG-5), with IC|50|values of 0.2-6 nM. |
| 纯度 | ≥95% |
| pKa值 | pKa: 1.73 (Predicted), pKa: 10.04 (Predicted) |
|---|---|
| IC50 | EDG-1: IC₅₀= 0.28 nM (human); EDG-8: IC₅₀= 0.77 nM (human); EDG-5: IC₅₀= 0.77 nM (human); EDG-3: IC₅₀= 6.3 nM (human); EDG-6: IC₅₀= 15 nM (human) |
| 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 | [2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate |
| INCHI | 1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24) |
| InChi Key | LRFKWQGGENFBFO-UHFFFAOYSA-N |
| Smiles | CCCCCCCCC1=CC=C(C=C1)CCC(CO)(COP(=O)(O)O)N |
| Isomeric SMILES | CCCCCCCCC1=CC=C(C=C1)CCC(CO)(COP(=O)(O)O)N |
| 分子量 | 387.45 |
| Reaxy-Rn | 9732428 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9732428&ln= |
| 溶解性 | Soluble in chloroform ( ~0.5 mg/ml). |
|---|---|
| 密度 | 1.17 g/cm3(Predicted) |
| 折光率 | n20D1.54 (Predicted) |
| 沸点 | 584.24° C at 760 mmHg (Predicted) |
| 熔点 | 90.27° C |
| 分子量 | 387.500 g/mol |
| XLogP3 | 0.800 |
| 氢键供体数Hydrogen Bond Donor Count | 4 |
| 氢键受体数Hydrogen Bond Acceptor Count | 6 |
| 可旋转键计数Rotatable Bond Count | 14 |
| 精确质量Exact Mass | 387.217 Da |
| 单同位素质量Monoisotopic Mass | 387.217 Da |
| 拓扑极表面积Topological Polar Surface Area | 113.000 Ų |
| 重原子数Heavy Atom Count | 26 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 409.000 |
| 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 | 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 |
| 预防措施声明 |
P264: 处理后要彻底洗手。 |
|---|