| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| L422615-1ml |
1ml |
现货  |
|
| 英文别名 | LIT-927 | 2172879-52-4 | 4-(4-Chlorophenyl)-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-2(1H)-one | LIT927 | CHEMBL4166454 | 6-(4-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one | SCHEMBL19782686 | GTPL10075 | LIT 927 | DTXSID001162146 | LIT 927; LIT927 | BCP29866 | EX |
|---|---|
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | LIT-927 |
| 生化机理 | LIT-927 是一种新型的 CXCL12 中性配体，抑制德克萨斯红标记的 CXCL12（CXCL12-TR）结合的 Ki 值为 267 nM。它对 CXCL12 和其他同样与哮喘有关的趋化因子具有高度选择性。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
Information LIT-927 is a novel neutraligand ofCXCL12with Ki value of 267 nM for inhibition of Texas red-labeled CXCL12 (CXCL12-TR) binding. It shows high selectivity toward CXCL12 vs other chemokines also involved in asthma. Targets CXCR4 ; CXCL12 ; 267 nM(Ki) In vitro LIT-927 is able to bind selectively CXCL12 and to inhibit CXCL12-CXCR4 interaction. In vivo In a murine model of hypereosinophilia, LIT-927 shows a large and statistically reliable inhibition of eosinophil recruitment. It inhibits allergic eosinophilic airway inflammation in mice when administered orally or locally. |
| ALogP | 3.599 |
|---|---|
| HBD Count | 2 |
| Rotatable Bond | 3 |
| 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 | 6-(4-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one |
| INCHI | InChI=1S/C17H13ClN2O3/c1-23-16-8-11(4-7-15(16)21)14-9-13(19-17(22)20-14)10-2-5-12(18)6-3-10/h2-9,21H,1H3,(H,19,20,22) |
| InChi Key | BYYRNPIGDRRGLJ-UHFFFAOYSA-N |
| Canonical SMILES | COC1=C(C=CC(=C1)C2=NC(=O)NC(=C2)C3=CC=C(C=C3)Cl)O |
| Isomeric SMILES | COC1=C(C=CC(=C1)C2=NC(=O)NC(=C2)C3=CC=C(C=C3)Cl)O |
| 关联CAS | 2172879-52-4 |
| PubChem CID | 137287575 |
| MeSH Entry Terms | 2(1H)-Pyrimidinone, 4-(4-chlorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-;4-(4-Chlorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-2(1H)-pyrimidinone;4-(4-Chlorophenyl)-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-2(1H)-one;LIT-927 |
| 分子量 | 328.75 |
| DMSO(mg / mL) Max Solubility | 66 |
|---|---|
| DMSO(mM) Max Solubility | 200.760456273764 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 328.700 g/mol |
| XLogP3 | 3.100 |
| 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 | 3 |
| 精确质量Exact Mass | 328.061 Da |
| 单同位素质量Monoisotopic Mass | 328.061 Da |
| 拓扑极表面积Topological Polar Surface Area | 70.900 Ų |
| 重原子数Heavy Atom Count | 23 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 512.000 |
| 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 |
| Proton NMR spectrum | Conforms to Structure |
|---|---|
| Concentration |
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