Tyrphostin AG 528

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. Tyrphostin AG 528 is also an anticancer agent.

Product information

CAS Number: 133550-49-9

Molecular Weight: 306.32

Formula: C18H14N2O3

Synonym:

Tyrphostin B66

AG 528

Chemical Name: (2E)-3-(3, 5-dichlorophenyl)-2-(pyridin-3-yl)prop-2-enenitrile

Smiles: N#C/C(=C\C1=CC(O)=C(O)C=C1)/C(=O)N1CCC2=CC=CC=C12

InChiKey: MYKCTDWWIWGLHW-NTEUORMPSA-N

InChi: InChI=1S/C18H14N2O3/c19-11-14(9-12-5-6-16(21)17(22)10-12)18(23)20-8-7-13-3-1-2-4-15(13)20/h1-6,9-10,21-22H,7-8H2/b14-9+

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: DMSO : 25 mg/mL (81.61 mM)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥360 days if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

In Vitro:

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.

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.

Products are for research use only. Not for human use.