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AG-1557

Catalog No.
C5417
inhibitor of epidermal growth factor receptor (EGFR) tyrosine kinase
Grouped product items
SizePriceStock Qty
5mg
$82.00
Ship with 5-10 days
10mg
$154.00
Ship with 5-10 days
25mg
$369.00
Ship with 5-10 days
50mg
$654.00
Ship with 5-10 days

Tel: +1-832-696-8203

Email: [email protected]

Worldwide Distributors

Background

pIC50: 8.194

AG-1557 is an inhibitor of epidermal growth factor receptor (EGFR) tyrosine kinase.

The epidermal growth factor receptor (EGFR) is a member of the receptor family of tyrosine kinases. Receptor tyrosine kinases are involved in various cancer cell behaviors, such as growth, invasion and blood vessel formation. EGFR is found to be over-expressed in several human solid tumors. Thus, EGFR has received much attention as a target for anticancer drugs.

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].

In vivo: Up to now, there is no animal in vivo data reported.

Clinical trial: So far, no clinical study has been conducted.

Reference:
[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).

Chemical Properties

Physical AppearanceA crystalline solid
StorageStore at -20°C
M.Wt407.2
Cas No.189290-58-2
FormulaC16H14IN3O2
SynonymsTyrphostin AG-1557
Solubility≤0.5mg/ml in ethanol;1.5mg/ml in DMSO;1mg/ml in dimethyl formamide
Chemical NameN-(3-iodophenyl)-6,7-dimethoxy-4-quinazolinamine
SDFDownload SDF
Canonical SMILESIC1=CC(NC2=NC=NC3=CC(OC)=C(OC)C=C32)=CC=C1
Shipping ConditionShip with blue ice, or upon other requests.
General tipsFor obtaining a higher solubility, please warm the tube at 37°C and shake it in the ultrasonic bath for a while. We do not recommend long-term storage for the solution, please use it up soon.

Quality Control

Quality Control & MSDS

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Chemical structure

AG-1557