| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| T126415-10mg |
10mg |
现货  |
| |
| T126415-50mg |
50mg |
期货 |
|
| 别名 | (3R,4S)-托法替尼 |
|---|---|
| 英文别名 | UNII-B64WR5WNB7 | D86134 | (3R,4S)-4-Methyl-3-(methyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamino)-beta-oxo-1-piperidinepropanenitrile | 3-((3R,4S)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile | 1-PIPERIDINEPROPANE |
| 规格或纯度 | ≥98% |
| 英文名称 | (3R,4S)-Tofacitinib |
| 生化机理 | Tasocitinib 又名 CP690550，是一种 JAK 激酶抑制剂。对 PV 患者祖细胞的 IC50 值估计为 0.2 μM。 |
| 储存温度 | -20°C储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
Tofacitinib(CP-690550)是高效JAK3抑制剂，IC50为1 nM，比对JAK2和JAK1的抑制性高20倍和100倍。 Tofacitinib(CP-690550) is a novel inhibitor of JAK3 with IC50 of 1 nM, 20- to 100-fold less potent against JAK2 and JAK1. |
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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 | 3-[(3R,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile |
| INCHI | InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13-/m0/s1 |
| InChi Key | UJLAWZDWDVHWOW-AAEUAGOBSA-N |
| Canonical SMILES | CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N |
| Isomeric SMILES | C[C@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N |
| PubChem CID | 25180101 |
| 分子量 | 312.37 |
| 溶解性 | DMSO 100 mg/mL Ethanol 100 mg/mL |
|---|---|
| 分子量 | 312.370 g/mol |
| XLogP3 | 1.500 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 5 |
| 可旋转键计数Rotatable Bond Count | 3 |
| 精确质量Exact Mass | 312.17 Da |
| 单同位素质量Monoisotopic Mass | 312.17 Da |
| 拓扑极表面积Topological Polar Surface Area | 88.900 Ų |
| 重原子数Heavy Atom Count | 23 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 488.000 |
| 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 | 2 |
| 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 |
| Purity(HPLC) | 98-100（%） |
|---|---|
| Appearance（T126415) | White to Yellow Powder |
| Mass spectrum | Conforms to standard |
| Proton NMR spectrum | Conforms to Structure |
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| 批号(Lot Number) | 证书类型 | 日期 | 货号 |
|---|---|---|---|
 F1822166 |
分析证书 | 23-11-17 | T126415 |
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