计算溶液所需的质量、体积或浓度。
| 活性类型 | 活性值-log(M) | 作用机制 | 期刊 | 参考文献(PubMed IDs) |
|---|
| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| A412452-5mg |
5mg |
现货 ![]() |
| |
| A412452-10mg |
10mg |
现货 ![]() |
| |
| A412452-25mg |
25mg |
现货 ![]() |
| |
| A412452-50mg |
50mg |
现货 ![]() |
|
| 别名 | N-(2-((4-(1,1-二氟乙基)恶唑-2-基)甲基)-2H-1,2,3-三唑-4-基)-2-甲基-5-(间甲苯基)恶唑-4-甲酰胺 |
|---|---|
| 英文别名 | N-(2-{[4-(1,1-difluoroethyl)-1,3-oxazol-2-yl]methyl}-2H-1,2,3-triazol-4-yl)-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide | N-[2-[[4-(1,1-difluoroethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide | A |
| 规格或纯度 | Moligand™, ≥98% |
| 英文名称 | ACT-389949 |
| 生化机理 | ACT-389949 是一种强效、选择性的甲酰肽受体 2 型(FPR2)/脂联素 A4 受体(ALX)激动剂,FPR2/ALX 内化至单核细胞的 EC50 为 3 nM。ACT-389949 具有治疗炎症性疾病的潜力。 |
| 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 | FPR2/ALX 激动剂 |
| 产品介绍 |
Information ACT-389949 is a potent, selective agonist of formyl peptide receptor type 2 (FPR2)/Lipoxin A4 receptor (ALX) with EC50 of 3 nM for FPR2/ALX internalization into monocytes. ACT-389949 has potential for inflammatory disorders. |
| IUPAC Name | N-[2-[[4-(1,1-difluoroethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide |
|---|---|
| INCHI | InChI=1S/C20H18F2N6O3/c1-11-5-4-6-13(7-11)18-17(24-12(2)31-18)19(29)26-15-8-23-28(27-15)9-16-25-14(10-30-16)20(3,21)22/h4-8,10H,9H2,1-3H3,(H,26,27,29) |
| InChi Key | PBTWPEDVIMHJEO-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC(=CC=C1)C2=C(N=C(O2)C)C(=O)NC3=NN(N=C3)CC4=NC(=CO4)C(C)(F)F |
| Isomeric SMILES | CC1=CC(=CC=C1)C2=C(N=C(O2)C)C(=O)NC3=NN(N=C3)CC4=NC(=CO4)C(C)(F)F |
| 关联CAS | 1258417-54-7 |
| PubChem CID | 49834265 |
| MeSH Entry Terms | 2-methyl-5-m-tolyloxazole-4-carboxylic acid (2-(4-(1,1-difluoroethyl)oxazol-2-ylmethyl)-2H-(1,2,3)triazol-4-yl)amide;ACT-389949 |
| 分子量 | 428.4 |
| 溶解性 | Solubility (25°C) In vitro Ethanol: mg/mL |
|---|---|
| 分子量 | 428.400 g/mol |
| XLogP3 | 3.500 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 9 |
| 可旋转键计数Rotatable Bond Count | 6 |
| 精确质量Exact Mass | 428.141 Da |
| 单同位素质量Monoisotopic Mass | 428.141 Da |
| 拓扑极表面积Topological Polar Surface Area | 112.000 Ų |
| 重原子数Heavy Atom Count | 31 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 644.000 |
| 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 |
| Purity(HPLC area) | |
|---|---|
| LC-MS for identification | Conforms |
| Proton NMR spectrum | Conforms to Structure |
| 1. Stalder AK, Lott D, Strasser DS, Cruz HG, Krause A, Groenen PM, Dingemanse J. (2017) Biomarker-guided clinical development of the first-in-class anti-inflammatory FPR2/ALX agonist ACT-389949.. Br J Clin Pharmacol, 83 (3): (476-486). [PMID:27730665] |