计算溶液所需的质量、体积或浓度。
活性类型 | 活性值-log(M) | 作用机制 | 期刊 | 参考文献(PubMed IDs) |
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货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
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X426744-1ml |
1ml |
现货 ![]() |
|
英文别名 | SR-01000391061-1 | XL228 | XL-228 | AC-30228 | EX-A1596 | N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-((3-isopropylisoxazol-5-yl)methyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine | 33M2XSK003 | s1272 | NSC800970 | NSC-800970 | 3-Methoxy-4-(N-piperidinome |
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规格或纯度 | 10mM in DMSO |
英文名称 | XL228 |
生化机理 | 描述: IC50 值 IC50 值:3 nM(极光 A 激酶);5 nM(Ki,Abl) XL228 是一种蛋白激酶抑制剂,靶向 IGF1R、震旦激酶、FGFR1-3、ABL 和 SRC 家族激酶。 在体外约 30% 的细胞株在活力测定中显示 XL228 的 IC50 值小于 100nM,其中包括许多发生 ALK 或 FGFR 突变或扩增的细胞株。对 XL228 反应最高的细胞系通常对其他 Aurora、ALK 或 FGFR 抑制剂也很敏感。在细胞激酶酶联免疫吸附试验中,XL228 对 FGFR2 的活性低于 20nM,免疫印迹分析也证实了这一点。在细胞激酶测定中,对 ALK 的效力较低(约 200 nM)。 临床试验:慢性髓性白血病或费城染色体阳性急性淋巴细胞白血病患者的XL-228研究。 |
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 | SRC 抑制剂 |
ALogP | 3 |
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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 |
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IUPAC Name | 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine |
INCHI | InChI=1S/C22H31N9O/c1-14(2)17-10-16(32-29-17)13-23-22-25-19(24-20-11-18(27-28-20)15-4-5-15)12-21(26-22)31-8-6-30(3)7-9-31/h10-12,14-15H,4-9,13H2,1-3H3,(H3,23,24,25,26,27,28) |
InChi Key | ALKJNCZNEOTEMP-UHFFFAOYSA-N |
Canonical SMILES | CC(C)C1=NOC(=C1)CNC2=NC(=CC(=N2)N3CCN(CC3)C)NC4=NNC(=C4)C5CC5 |
Isomeric SMILES | CC(C)C1=NOC(=C1)CNC2=NC(=CC(=N2)N3CCN(CC3)C)NC4=NNC(=C4)C5CC5 |
PubChem CID | 59757974 |
分子量 | 437.54 |
分子量 | 437.500 g/mol |
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XLogP3 | 3.000 |
氢键供体数Hydrogen Bond Donor Count | 3 |
氢键受体数Hydrogen Bond Acceptor Count | 9 |
可旋转键计数Rotatable Bond Count | 8 |
精确质量Exact Mass | 437.265 Da |
单同位素质量Monoisotopic Mass | 437.265 Da |
拓扑极表面积Topological Polar Surface Area | 111.000 Ų |
重原子数Heavy Atom Count | 32 |
形式电荷Formal Charge | 0 |
复杂度Complexity | 598.000 |
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) |
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Appearance(Colorless Transparent Liquid) | Pass |
Record the entire process by video | Conform |