| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| A420481-1ml |
1ml |
现货  |
|
| 英文别名 | (S)-1-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-1-(4-chlorophenyl)ethanol; SCHEMBL851471 | NCGC00386423-03 | SCHEMBL851471 | AT13148 | AT-13148 | SB16880 | AS-35164 | UNII-A49037RP1E | (S)-1-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-1-(4-chlorophenyl)ethanol | Q27273 |
|---|---|
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | AT13148 |
| 生化机理 | AT13148 是一种口服 ATP 竞争性多AGC 激酶抑制剂，对 Akt1/2/3、p70S6K、PKA 和 ROCKI/II 的 IC50 分别为 38 nM/402 nM/50 nM、8 nM、3 nM 和 6 nM/4 nM。第一阶段 |
| 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 | MAP 激酶激活的蛋白激酶 2 抑制剂 |
| 产品介绍 |
Information AT13148 is an oral, ATP-competitive, multi-AGC kinaseinhibitor withIC50of 38 nM/402 nM/50 nM, 8 nM, 3 nM, and 6 nM/4 nM forAkt1/2/3,p70S6K,PKA, andROCKI/II, respectively. Phase 1. Targets PKA (Cell-free assay); ROCK2 (Cell-free assay); ROCK1 (Cell-free assay); p70S6K (Cell-free assay); Akt1 (Cell-free assay) 15565,3 nM; 4 nM; 6 nM; 8 nM; 38 nM In vitro AT13148, as a multi-AGC kinase inhibitor, potently inhibits proliferation with GI50 values of 1.5 to 3.8 μM across a selected panel of cancer cell lines with deregulation of PI3K-AKT-mTOR or RAS-RAF pathways. In PTEN-deficient MES-SA cells, AT13148 also inhibits AKT and p70S6K signaling. In vivo AT13148 (50 mg/kg p.o.) markedly inhibits the activity of both AKT and p70S6K AGC kinases, and subsequently exhibits marked antitumor effects in human tumor xenografts. Cell Research(from reference) Cell lines：MES-SA, MES-SA/Dx5, BT474, HCT-116, A549, PC3, SK-BR-3, MCF7, U87MG, MDA-MB-468, DU-145, and SK-OV-3 cell lines Concentrations：~10 μM Incubation Time：72 hours or 96 hours |
| IC50 | ROCK2, IC50: 4 nM |
|---|---|
| ALogP | 2.491 |
| hba_count | 1 |
| HBD Count | 2 |
| Rotatable Bond | 4 |
| 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 |
|---|---|
| IIUPAC Name | (1S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol |
| INCHI | 1S/C17H16ClN3O/c18-16-7-5-15(6-8-16)17(22,11-19)14-3-1-12(2-4-14)13-9-20-21-10-13/h1-10,22H,11,19H2,(H,20,21)/t17-/m0/s1 |
| InChi Key | IIRWNGPLJQXWFJ-KRWDZBQOSA-N |
| Smiles | C1=CC(=CC=C1C2=CNN=C2)C(CN)(C3=CC=C(C=C3)Cl)O |
| Isomeric SMILES | C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O |
| 分子量 | 313.78 |
| Reaxy-Rn | 12318404 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12318404&ln= |
| DMSO(mg / mL) Max Solubility | 62 |
|---|---|
| DMSO(mM) Max Solubility | 197.5906686 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 313.800 g/mol |
| XLogP3 | 2.200 |
| 氢键供体数Hydrogen Bond Donor Count | 3 |
| 氢键受体数Hydrogen Bond Acceptor Count | 3 |
| 可旋转键计数Rotatable Bond Count | 4 |
| 精确质量Exact Mass | 313.098 Da |
| 单同位素质量Monoisotopic Mass | 313.098 Da |
| 拓扑极表面积Topological Polar Surface Area | 74.900 Ų |
| 重原子数Heavy Atom Count | 22 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 354.000 |
| 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 | 1 |
| 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 |
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