| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| R421041-1ml |
1ml |
现货  |
|
| 英文别名 | FT-0700142 | RN486 | RN-486 | 7G6 | 6-Cyclopropyl-8-Fluoranyl-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5-(4-Methylpiperazin-1-Yl)pyridin-2-Yl]amino]-6-Oxidanylidene-Pyridin-3-Yl]phenyl]isoquinolin-1-One | NSC781417 | NSC-781417 | 1242156-23-5 | 6-cyclopropyl- |
|---|---|
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | RN486 |
| 生化机理 | RN486 是一种强效的选择性 BTK 抑制剂，IC50 为 4 nM。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 抑制剂 |
| 作用机制 | 布鲁顿酪氨酸激酶抑制剂；STE20 类激酶抑制剂 |
| 产品介绍 |
Information RN486 RN486 is a potent and selective BTK inhibitor with IC50 of 4 nM. Targets BTK 4 nM In vitro RN486 not only potently and selectively inhibits the Btk enzyme, but also displays functional activities in human cell-based assays in multiple cell types, blocking Fcε receptor cross-linking-induced degranulation in mast cells (IC50 = 2.9 nM), Fcγ receptor engagement-mediated tumor necrosis factor α production in monocytes (IC50 = 7.0 nM), and B cell antigen receptor-induced expression of an activation marker, CD69, in B cells in whole blood (IC50 = 21.0 nM). RN486 is able to block the signaling of BCR as demonstrated by a marked inhibition of phosphorylation of both Btk and PLCγ2 in B cells. RN486 displays a selective B cell inhibitory profile in BioMAP Systems. In vivo RN486 displays similar functional activities in rodent models, effectively preventing type I and type III hypersensitivity responses. More importantly, RN486 produces robust anti-inflammatory and bone-protective effects in mouse CIA and rat adjuvant-induced arthritis (AIA) models. In the AIA model, RN486 inhibits both joint and systemic inflammation either alone or in combination with methotrexate, reducing both paw swelling and inflammatory markers in the blood. |
| ALogP | 3.061 |
|---|---|
| HBD Count | 2 |
| Rotatable Bond | 7 |
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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 | 6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]isoquinolin-1-one |
| INCHI | InChI=1S/C35H35FN6O3/c1-39-12-14-41(15-13-39)26-8-9-32(37-19-26)38-30-18-25(20-40(2)34(30)44)27-4-3-5-31(28(27)21-43)42-11-10-23-16-24(22-6-7-22)17-29(36)33(23)35(42)45/h3-5,8-11,16-20,22,43H,6-7,12-15,21H2,1-2H3,(H,37,38) |
| InChi Key | ZTUJNJAKTLHBEX-UHFFFAOYSA-N |
| Canonical SMILES | CN1CCN(CC1)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=CC=C4)N5C=CC6=CC(=CC(=C6C5=O)F)C7CC7)CO |
| Isomeric SMILES | CN1CCN(CC1)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=CC=C4)N5C=CC6=CC(=CC(=C6C5=O)F)C7CC7)CO |
| PubChem CID | 46908026 |
| 分子量 | 606.69 |
| DMSO(mg / mL) Max Solubility | 62 |
|---|---|
| DMSO(mM) Max Solubility | 102.1938717 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 606.700 g/mol |
| XLogP3 | 3.800 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 8 |
| 可旋转键计数Rotatable Bond Count | 7 |
| 精确质量Exact Mass | 606.275 Da |
| 单同位素质量Monoisotopic Mass | 606.275 Da |
| 拓扑极表面积Topological Polar Surface Area | 92.300 Ų |
| 重原子数Heavy Atom Count | 45 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 1210.000 |
| 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 |
| Concentration(Compounding value) | 9.0-11.0(mmol/L) |
|---|---|
| Appearance(Light yellow liquid) | pass |
| Record the entire process by video | Conform |
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