| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| H421682-1ml |
1ml |
现货  |
|
| 英文别名 | BCP25041 | DTXSID401025699 | SCHEMBL15271960 | SIK inhibitor 1 | HG-9-91-01 (1) | MS-30272 | 1-(2,4-Dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-(6-(4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4-yl)urea | GTPL8049 | AKOS030526556 | NCGC00378591-01 | 1-(2 |
|---|---|
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | HG-9-91-01 |
| 生化机理 | HG-9-91-01 （SIK 抑制剂 1）是一种强效、高选择性的盐诱导激酶（SIK）抑制剂，对 SIK1、SIK2 和 SIK3 的 IC50 分别为 0.92 nM、6.6 nM 和 9.6 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 | 盐诱导激酶 1 抑制剂；盐诱导激酶 2 抑制剂；SIK 家族激酶 3 抑制剂 |
| 产品介绍 |
Information HG-9-91-01 HG-9-91-01 (SIK inhibitor 1) is a potent and highly selective inhibitor of salt-inducible kinase (SIK) with IC50 of 0.92 nM, 6.6 nM and 9.6 nM for SIK1, SIK2 and SIK3, respectively. Targets SIK1 (Cell-free assay); SIK2 (Cell-free assay); SIK3 (Cell-free assay) 0.92 nM; 6.6 nM; 9.6 nM In vitro HG-9-91-01 is a potent and selective inhibitor of SIK. HG-9-91-01 not only targets the ATP-binding site, but also a small hydrophobic pocket adjacent to this site that is created by the presence of a small amino acid residue at this gatekeeper site. HG-9-91-01 inhibits a number of protein tyrosine kinases that possess a threonine residue at the gatekeeper site, such as Src family members (Src, Lck, and Yes), BTK, and the FGF and Ephrin receptors. HG-9-91-01 potently inhibits the SIKs and, crucially, does not inhibit any other member of the AMPK-related kinase subfamily, which all possess a large hydrophobic residue (Met or Leu) at the gatekeeper site. HG-9-91-01 increases LPS-stimulated IL-10 production and greatly suppressed proinflammatory cytokine secretion, even when cells are costimulated with IFNγ to generate fully polarized classically activated (M1) macrophages. In vivo HG-9-91-01 is > 99% serum bound and rapidly degraded by mouse liver microsomes (t1/2 = 11 min) making this compound unsuitable for direct injection into animals. Cell Research(from reference) Cell lines：Macrophages Concentrations：500 nM Incubation Time：1 h |
| ALogP | 6.214 |
|---|---|
| hba_count | 5 |
| HBD Count | 2 |
| Rotatable Bond | 8 |
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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 | 未知 |
|---|---|
| IUPAC Name | 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea |
| INCHI | InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35) |
| InChi Key | UYUHRKLITDJEHB-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(C(=CC=C1)C)NC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC=NC(=C3)NC4=CC=C(C=C4)N5CCN(CC5)C |
| Isomeric SMILES | CC1=C(C(=CC=C1)C)NC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC=NC(=C3)NC4=CC=C(C=C4)N5CCN(CC5)C |
| 分子量 | 567.68 |
| Reaxy-Rn | 24079892 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24079892&ln= |
| DMSO(mg / mL) Max Solubility | 100 |
|---|---|
| DMSO(mM) Max Solubility | 176.155580608794 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 567.700 g/mol |
| XLogP3 | 5.300 |
| 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 | 8 |
| 精确质量Exact Mass | 567.296 Da |
| 单同位素质量Monoisotopic Mass | 567.296 Da |
| 拓扑极表面积Topological Polar Surface Area | 95.100 Ų |
| 重原子数Heavy Atom Count | 42 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 825.000 |
| 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 | 9-11（mmol/L） |
|---|---|
| Proton NMR spectrum | Conforms to Structure |
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