Tyrphostin AG 528
(Synonyms: 酪氨酸磷酸化抑制剂AG528,Tyrphostin B66; AG 528) 目录号 : GC19364A tyrphostin that inhibits EGFR and HER2
Cas No.:133550-49-9
Sample solution is provided at 25 µL, 10mM.
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- Purity: >98.00%
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- Datasheet
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].
References:
[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.
Cas No. | 133550-49-9 | SDF | |
别名 | 酪氨酸磷酸化抑制剂AG528,Tyrphostin B66; AG 528 | ||
Canonical SMILES | O=C(/C(C#N)=C/C1=CC=C(O)C(O)=C1)N2CCC3=CC=CC=C32 | ||
分子式 | C18H14N2O3 | 分子量 | 306.32 |
溶解度 | DMSO : 25 mg/mL (81.61 mM) | 储存条件 | Store at -20°C |
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1 mg | 5 mg | 10 mg | |
1 mM | 3.2646 mL | 16.3228 mL | 32.6456 mL |
5 mM | 0.6529 mL | 3.2646 mL | 6.5291 mL |
10 mM | 0.3265 mL | 1.6323 mL | 3.2646 mL |
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% DMSO % % Tween 80 % saline | ||||||||||
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2.
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