| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| A129498-5mg |
5mg |
现货  |
| |
| A129498-25mg |
25mg |
现货 |
|
| 英文别名 | GTPL7680 | A864713 | N-[(1S)-2-(Dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydropyrrolo[3,4-c]pyrazo le-5(1H)-carboxamide | 2-{3-[(4-chlorophenyl)sulfanyl]-4-acetamido-2-methyl-1H-indol-1-yl}acetic acid |
|---|---|
| 规格或纯度 | Moligand™, ≥98% |
| 英文名称 | AZD1981 |
| 储存温度 | -20°C储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 拮抗剂 |
| 作用机制 | G 蛋白偶联受体 44 拮抗剂 |
| 产品介绍 |
AZD1981是一种有效的，选择性CRTh2 (DP2) receptor拮抗剂，IC50为4 nM，比作用于340种其他酶和受体（包括DP1）选择性高1000多倍。 AZD1981 is a potent, selective CRTh2 (DP2) receptor antagonist with IC50 of 4 nM, showing >1000-fold selectivity over more than 340 other enzymes and receptors, including DP1. |
| ALogP | 4 |
|---|
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| PubChem SID | 504766259 |
|---|---|
| 分子类型 | 小分子 |
| IUPAC Name | 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid |
| INCHI | InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25) |
| InChi Key | JWYIGNODXSRKGP-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(C2=C(C=CC=C2N1CC(=O)O)NC(=O)C)SC3=CC=C(C=C3)Cl |
| Isomeric SMILES | CC1=C(C2=C(C=CC=C2N1CC(=O)O)NC(=O)C)SC3=CC=C(C=C3)Cl |
| PubChem CID | 11292191 |
| 分子量 | 388.87 |
| 溶解性 | DMSO 11 mg/mL Water Ethanol |
|---|---|
| 分子量 | 388.900 g/mol |
| XLogP3 | 4.000 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 4 |
| 可旋转键计数Rotatable Bond Count | 5 |
| 精确质量Exact Mass | 388.065 Da |
| 单同位素质量Monoisotopic Mass | 388.065 Da |
| 拓扑极表面积Topological Polar Surface Area | 96.600 Ų |
| 重原子数Heavy Atom Count | 26 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 527.000 |
| 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 | 98-100（%） |
|---|---|
| Appearance（A129498) | Powder |
| NMR spectrum | Conforms to Structure |
| 1. Schmidt JA, Bell FM, Akam E, Marshall C, Dainty IA, Heinemann A, Dougall IG, Bonnert RV, Sargent CA. (2013) Biochemical and pharmacological characterization of AZD1981, an orally available selective DP2 antagonist in clinical development for asthma.. Br J Pharmacol, 168 (7): (1626-38). [PMID:23146091] |
| 2. Kuna P, Bjermer L, Tornling G. (2016) Two Phase II randomized trials on the CRTh2 antagonist AZD1981 in adults with asthma.. Drug Des Devel Ther, 10 (2759-70). [PMID:27621597] |
| 3. Snell N, Foster M, Vestbo J. (2013) Efficacy and safety of AZD1981, a CRTH2 receptor antagonist, in patients with moderate to severe COPD.. Respir Med, 107 (11): (1722-30). [PMID:23827726] |
| 4. Oliver ET, Chichester K, Devine K, Sterba PM, Wegner C, Vonakis BM, Saini SS. (2019) Effects of an Oral CRTh2 Antagonist (AZD1981) on Eosinophil Activity and Symptoms in Chronic Spontaneous Urticaria.. Int Arch Allergy Immunol, 179 (1): (21-30). [PMID:30879003] |
| 5. Cook D, Brown D, Alexander R, March R, Morgan P, Satterthwaite G, Pangalos MN. (2014) Lessons learned from the fate of AstraZeneca's drug pipeline: a five-dimensional framework.. Nat Rev Drug Discov, 13 (6): (419-31). [PMID:24833294] |
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