酪氨酸磷酸化抑制剂AG528
中文名称 | 酪氨酸磷酸化抑制剂AG528 |
---|---|
中文同义词 | 酪氨酸磷酸化抑制剂AG528;化合物TYRPHOSTIN AG 528;TYRPHOSTIN AG 528游离 |
英文名称 | TYRPHOSTIN AG 528 |
英文同义词 | N-(3μ,4μ-Dihydroxybenzylidenecyanoacetyl)indoline, Tyrphostin B66;CS-2282;TYRPHOSTIN AG-528 (TYRPHOSTIN B66);1H-Indole-1-propanenitrile, α-[(3,4-dihydroxyphenyl)methylene]-2,3-dihydro-β-oxo-, (αE)-;(E)-3-(3,4-Dihydroxyphenyl)-2-(indoline-1-carbonyl)acrylonitrile;Tyrphostin AG 528,AG528,HER1,Tyrphostin AG-528,ErbB-1,AG-528,EGFR,Tyrphostin AG528,Tyrphostin B-66,Tyrphostin B 66,inhibit,Epidermal growth factor receptor,Inhibitor |
CAS号 | 133550-49-9 |
分子式 | C18H14N2O3 |
分子量 | 306.32 |
EINECS号 | |
相关类别 | |
Mol文件 | 133550-49-9.mol |
结构式 |
酪氨酸磷酸化抑制剂AG528 性质
熔点 | 215 °C |
---|---|
沸点 | 529.4±50.0 °C(Predicted) |
密度 | 1.416±0.06 g/cm3(Predicted) |
储存条件 | −20°C |
溶解度 | DMF:25mg/mL; DMSO:20mg/mL;乙醇:1mg/mL |
形态 | 结晶固体 |
酸度系数(pKa) | 8.80±0.10(Predicted) |
Target | Value |
HER2
(Cell-free assay) | 2.1 μM |
EGFR
(Cell-free assay) | 4.9 μM |
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.
安全信息
安全说明 | 22-24/25 |
---|---|
海关编码 | 2933.99.8290 |
更新日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
---|---|---|---|---|---|
2024/01/16 | T3504 | 酪氨酸磷酸化抑制剂AG528 Tyrphostin AG528 | 133550-49-9 | 25mg | 790元 |
2024/01/16 | T3504 | 酪氨酸磷酸化抑制剂AG528 Tyrphostin AG528 | 133550-49-9 | 100mg | 2725元 |