| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| S421680-1ml |
1ml |
现货  |
|
| 英文别名 | 4-[[(4-cyclohexylphenyl)methyl][2-[methyl[(2,3,4,5,6-pentafluorophenyl)sulfonyl]amino]acetyl]amino]-benzoic acid |
|---|---|
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | SH-4-54 |
| 生化机理 | SH-4-54 是一种强效 STAT 抑制剂，对 STAT3 和 STAT5 的KD分别为 300 nM 和 464 nM。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
Information SH-4-54 is a potentSTATinhibitor withKDof 300 nM and 464 nM for STAT3 and STAT5, respectively. Targets STAT3 (Cell-free assay); STAT5 (Cell-free assay) 300 nM(Kd); 464 nM(Kd) In vitro SH-4-54 shows unprecedented cytotoxicity in human glioblastoma brain cancer stem cells (BTSCs), while has no toxicity in human fetal astrocytes. In addition, SH-4-54 effectively suppresses STAT3 phosphorylation and its downstream transcriptional targets. In vivo In mice orthotopically xenografted with BT73, SH-4-54 (10 mg/kg i.p.) exhibits BBB permeability, potently suppresses glioma tumor growth, and inhibits pSTAT3. Cell Research(from reference) Cell lines：BTSC lines 25M, 67EF, 73EF, 84EF and 127EF Concentrations：~25 μM Incubation Time：72 hours |
| IC50 | STAT3, Kd: 300 nM |
|---|---|
| ALogP | 6.221 |
| Rotatable Bond | 9 |
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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 | 4-[(4-cyclohexylphenyl)methyl-[2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]acetyl]amino]benzoic acid |
| INCHI | InChI=1S/C29H27F5N2O5S/c1-35(42(40,41)28-26(33)24(31)23(30)25(32)27(28)34)16-22(37)36(21-13-11-20(12-14-21)29(38)39)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18H,2-6,15-16H2,1H3,(H,38,39) |
| InChi Key | VFPYGNNOSJWBHF-UHFFFAOYSA-N |
| Canonical SMILES | CN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC=C(C=C3)C(=O)O)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F |
| Isomeric SMILES | CN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC=C(C=C3)C(=O)O)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F |
| PubChem CID | 72188643 |
| 分子量 | 610.59 |
| DMSO(mg / mL) Max Solubility | 100 |
|---|---|
| DMSO(mM) Max Solubility | 163.7760199 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 610.600 g/mol |
| XLogP3 | 6.200 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 11 |
| 可旋转键计数Rotatable Bond Count | 9 |
| 精确质量Exact Mass | 610.156 Da |
| 单同位素质量Monoisotopic Mass | 610.156 Da |
| 拓扑极表面积Topological Polar Surface Area | 103.000 Ų |
| 重原子数Heavy Atom Count | 42 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 1010.000 |
| 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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