N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine Property

Boiling point:

492.9±45.0 °C(Predicted)

Density 

1.654±0.06 g/cm3(Predicted)

storage temp. 

Store at -20°C

solubility 

≤0.5mg/ml in ethanol;1.5mg/ml in DMSO;1mg/ml in dimethyl formamide

form 

crystalline solid

pka

5.54±0.30(Predicted)

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine Chemical Properties,Usage,Production

Description

AG-1557 is an inhibitor of epidermal growth factor receptor (EGFR) tyrosine kinase with a pIC₅₀ value of 8.194.

Uses

AG-1557 is a specific and ATP competitive inhibitor of epidermal growth factor receptor (EGFR) tyrosine kinase.

in vitro

a pharmacophore model was developed using a dataset of 77 chemically diverse egfr inhibitors including ag-1557 using phase. statistically valid three dimensional quantitative structure activity relationship (3d-qsar) equations were generated. docking of the probable hits into the crystal structure of egfr was used as a second filter. calculation of adme properties of the probable hits arising out of docking further reduced the number of hits. the pharmacophore results indicated that the presence of two aromatic ring features, one acceptor feature, one donor feature and one hydrophobic feature were necessary for potent inhibitory activity. the generated pharmacophore resulted in a 3d-qsar model, with a correlation coefficient r2 of 0.9905 and q2 of 0.8764. docking studies as a second filter reduced the hits to 8. application of drug-likeness as a third filter gave 6 leads. ag-1557 was screening as an inhibitor of egfr tyrosine kinase with a predicted pic50 value of 8.62, which was comparable with its experimental determined value of 8.194 [1].

References

[1] joshi, a. ,gadhwal, m., and joshi, u.j. indentification of potential novel egfr inhibitors using a combination of pharmacophore and docking methods. int. j. pharm. pharmaceut. sci. 7(6), (2015).