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Tyrphostin AG 528
本产品不向个人销售,仅用作科学研究,不用于任何人体实验及非科研性质的动物实验。
Tyrphostin AG 528图片
CAS NO:133550-49-9
规格:98%
分子量:306.32
包装与价格:
包装价格(元)
5mg电议
10mg电议
25mg电议
50mg电议
100mg电议

产品介绍
Tyrphostin AG 528 is an inhibitor of EGFR and ErbB2 with IC50s of 4.9 and 2.1 uM, respectively.
CAS:133550-49-9
分子式:C18H14N2O3
分子量:306.32
纯度:98%
存储:Store at -20°C

Background:

Tyrphostin AG 528 is an inhibitor of EGFR and ErbB2 with IC50s of 4.9 and 2.1 μM, respectively.Tyrphostin AG 528 (Tyrphostin B66) is a protein tyrosine kinase inhibitor, with IC50s of 4.9 μM for epidermal growth factor receptors (EGFR) and 2.1 μM for ErbB2[1]. Tyrphostin AG 528 is also an anticancer agent[2].


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[2].


参考文献:
[1]. Naijue Zhu, et al. Tyrphostin Tumor Growth Inhibitors of EGFR and ErbB2 Tyrosine Kinase. J Chem Crystallogr. 2007, 37, 679–683.
[2]. Sheikhi M, et al. Investigation of Adsorption Tyrphostin AG528 Anticancer Drug Upon the CNT(6,6-6) Nanotube: A DFT Study. Curr Mol Med. 2019;19(2):91-104.