| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| G421085-1ml |
1ml |
现货  |
|
| 英文别名 | Benzamide,2,6-dichloro-N-[2-[(cyclopropylcarbonyl)amino]-4-pyridinyl]- |
|---|---|
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | GDC046 |
| 生化机理 | GDC046（化合物 3）是一种强效、选择性和口服生物活性 TYK2 抑制剂，对 TYK2、JAK1、JAK2 和 JAK3 的 Ki 值分别为 4.8 nM、83.8 nM、27.6 nM 和 253 nM。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
Information GDC046 (Compound 3) is a potent, selective, and orally bioavailable inhibitor ofTYK2with Ki of 4.8 nM, 83.8 nM, 27.6 nM and 253 nM for TYK2, JAK1, JAK2, and JAK3, respectively. Targets TYK2 (Cell-free assay); JAK2 (Cell-free assay); JAK1 (Cell-free assay); JAK3 (Cell-free assay) 4.8 nM(Ki); 27.6 nM(Ki); 83.8 nM(Ki); 253 nM(Ki) |
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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 | 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)pyridin-4-yl]benzamide |
| INCHI | InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23) |
| InChi Key | IAFNAEGXTKTGHN-UHFFFAOYSA-N |
| Canonical SMILES | C1CC1C(=O)NC2=NC=CC(=C2)NC(=O)C3=C(C=CC=C3Cl)Cl |
| Isomeric SMILES | C1CC1C(=O)NC2=NC=CC(=C2)NC(=O)C3=C(C=CC=C3Cl)Cl |
| 分子量 | 350.2 |
| Reaxy-Rn | 20998038 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20998038&ln= |
| 分子量 | 350.200 g/mol |
|---|---|
| XLogP3 | 2.900 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 3 |
| 可旋转键计数Rotatable Bond Count | 4 |
| 精确质量Exact Mass | 349.038 Da |
| 单同位素质量Monoisotopic Mass | 349.038 Da |
| 拓扑极表面积Topological Polar Surface Area | 71.100 Ų |
| 重原子数Heavy Atom Count | 23 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 449.000 |
| 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 |
| Reaxy-Rn | 20998038 |
|---|---|
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20998038&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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