中文名 | Tyrphostin AG 528 |
英文名 | Tyrphostin AG 528 |
别名 | 酪氨酸磷酸化抑制剂AG528 TYRPHOSTIN AG 528游离 化合物TYRPHOSTIN AG 528 |
英文别名 | CS-2282 Tyrphostin AG 528 TYRPHOSTIN AG-528 (TYRPHOSTIN B66) (E)-3-(3,4-Dihydroxyphenyl)-2-(indoline-1-carbonyl)acrylonitrile N-(3μ,4μ-Dihydroxybenzylidenecyanoacetyl)indoline, Tyrphostin B66 1H-Indole-1-propanenitrile, α-[(3,4-dihydroxyphenyl)methylene]-2,3-dihydro-β-oxo-, (αE)- |
CAS | 133550-49-9 |
化学式 | C18H14N2O3 |
分子量 | 306.32 |
密度 | 1.416±0.06 g/cm3(Predicted) |
熔点 | 215 °C |
沸点 | 529.4±50.0 °C(Predicted) |
溶解度 | DMSO: 25毫克/毫升 (81.61毫米; 需要超声波) |
酸度系数 | 8.80±0.10(Predicted) |
存储条件 | −20°C |
体外研究 | In the present study, the interaction between drug Tyrphostin AG528 and CNT(6,6-6) nanotube by Density Functional Theory (DFT) calculations in solvent water has been investigated for the first time. According to the calculations, intermolecular hydrogen bonds take place between an active position of the molecule Tyrphostin AG528 and hydrogen atoms of the nanotube which play an important role in the stability of complex CNT(6,6- 6)/Tyrphostin AG528. The non-bonded interaction effects of the molecule Tyrphostin AG528 with CNT(6,6-6) nanotube on the electronic properties, chemical shift tensors and natural charge have also been detected. The natural bond orbital (NBO) analysis suggested that the molecule Tyrphostin AG528 as an electron donor and the CNT(6,6-6) nanotube play the role of an electron acceptor at the complex CNT(6,6-6)/Tyrphostin AG528. |
安全术语 | S22 - 切勿吸入粉尘。 S24/25 - 避免与皮肤和眼睛接触。 |
1mg | 5mg | 10mg | |
---|---|---|---|
1 mM | 3.265 ml | 16.323 ml | 32.646 ml |
5 mM | 0.653 ml | 3.265 ml | 6.529 ml |
10 mM | 0.326 ml | 1.632 ml | 3.265 ml |
5 mM | 0.065 ml | 0.326 ml | 0.653 ml |
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