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

CAS No.
189290-58-2
Chemical Name:
N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine
Synonyms
AG-1557;AG 1557;AG1557;N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine;4-Quinazolinamine, N-(3-iodophenyl)-6,7-dimethoxy-;AG1557,EGFR,Epidermal growth factor receptor,ErbB-1,Inhibitor,inhibit,HER1
CBNumber:
CB32738423
Molecular Formula:
C16H14IN3O2
Molecular Weight:
407.21
MDL Number:
MFCD28902185
MOL File:
189290-58-2.mol
Last updated:2023-09-04 16:42:00

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

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)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
NFPA 704
0
2 0

N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine price More Price(15)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Cayman Chemical 17989 AG-1557 ≥95% 189290-58-2 5mg $73 2024-03-01 Buy
Cayman Chemical 17989 AG-1557 ≥95% 189290-58-2 10mg $138 2024-03-01 Buy
Cayman Chemical 17989 AG-1557 ≥95% 189290-58-2 25mg $324 2024-03-01 Buy
Cayman Chemical 17989 AG-1557 ≥95% 189290-58-2 50mg $575 2024-03-01 Buy
ApexBio Technology C5417 AG-1557 189290-58-2 25mg $369 2021-12-16 Buy
Product number Packaging Price Buy
17989 5mg $73 Buy
17989 10mg $138 Buy
17989 25mg $324 Buy
17989 50mg $575 Buy
C5417 25mg $369 Buy

N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine Chemical Properties,Uses,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).

13794-72-4
189290-58-2
Synthesis of N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine from 6,7-Dimethoxy-3,4-dihydroquinazoline-4-one

N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine Preparation Products And Raw materials

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

AG-1557 N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine AG 1557;AG1557 4-Quinazolinamine, N-(3-iodophenyl)-6,7-dimethoxy- AG1557,EGFR,Epidermal growth factor receptor,ErbB-1,Inhibitor,inhibit,HER1 189290-58-2 Inhibitors