| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| R423091-1ml |
1ml |
现货  |
|
| 英文别名 | RS 102895 hydrochloride | 1173022-16-6 | 300815-41-2 | RS-102895 Hydrochloride | RS102895 hydrochloride | RS102895 (hydrochloride) | MFCD08703093 | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride | Spiro[4H-3,1-benzoxa |
|---|---|
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | RS 102895 Hydrochloride |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 拮抗剂 |
| 作用机制 | CCR2 拮抗剂 |
| 产品介绍 |
RS 102895盐酸盐是CKR-2B（CCR2）选择性趋化因子受体拮抗剂（IC 50值为0.36和17.8μM，分别用于抑制人重组CKR-2B和CKR-1（CCR2b和CCR1受体）。分别以32 nM和1.7μM的IC | 50阻滞MCP-1刺激的钙内流和趋化性。抑制α| 1A | -AR，α| 1D | -AR和SR-1A（α1A，α1D和5-HT | 1A |受体）。 RS 102895 Hydrochloride is a CKR-2B (CCR2)-selective chemokine receptor antagonist (IC|50|values are 0.36 and 17.8 μM for inhibition of human recombinant CKR-2B and CKR-1 (CCR2b and CCR1 receptors) respectively). Blocks MCP-1-stimulated calcium influx and chemotaxis with IC|50|values of 32 nM and 1.7 μM respectively. Inhibits α|1A|-AR, α|1D|-AR and SR-1A (α1A, α1D and 5-HT|1A|receptors). |
| IC50 | MCP-1-stimulated calcium influx: IC₅₀= 32 nM; MCP-3-stimulated calcium influx: IC₅₀= 130 nM; CKR-2B: IC₅₀= 0.36 μM (human); MCP-1-dependent chemotaxis: IC₅₀= 1.7 μM; CKR-1: IC₅₀= 17.8 μM (human) |
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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 |
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| 分子类型 | 小分子 |
|---|---|
| IUPAC Name | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride |
| INCHI | InChI=1S/C21H21F3N2O2.ClH/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20;/h1-8H,9-14H2,(H,25,27);1H |
| InChi Key | KRRISOFSWVKYBF-UHFFFAOYSA-N |
| Canonical SMILES | C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F.Cl |
| Isomeric SMILES | C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F.Cl |
| WGK Germany | 3 |
| PubChem CID | 16759153 |
| 分子量 | 390.40 |
| 折光率 | n20D~1.59 (Predicted) |
|---|---|
| 分子量 | 426.900 g/mol |
| XLogP3 | |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 6 |
| 可旋转键计数Rotatable Bond Count | 3 |
| 精确质量Exact Mass | 426.132 Da |
| 单同位素质量Monoisotopic Mass | 426.132 Da |
| 拓扑极表面积Topological Polar Surface Area | 41.600 Ų |
| 重原子数Heavy Atom Count | 29 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 552.000 |
| 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 | 2 |
| WGK Germany | 3 |
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| Concentration | 9-11（mmol/L） |
|---|---|
| Proton NMR spectrum | Conforms to Structure |
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