N-(3-Iodophyenyl)-6,7-dimethoxyoxy-4-quinazolina
Basic information
- CAS
189290-58-2- Standard SMILES
COc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC- InChIKey
FGCLAQLIXMAIHT-UHFFFAOYSA-N- Molecular formula
- C16H14IN3O2
- Average molar mass
- 407.21 g/mol
- Monoisotopic mass
- 407.01307
Names & identifiers
- Preferred name
- N-(3-Iodophyenyl)-6,7-dimethoxyoxy-4-quinazolina
- IUPAC
- N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine
- English name
- N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine
- Molecular formula
- C16H14IN3O2
- Molecular weight
- 407.21
Names & synonyms
189290-58-2DTXSID10877962N-(3-IODOPHYENYL)-6,7-DIMETHOXYOXY-4-QUINAZOLINARefChem:361414DTXCID201016026AG-1557N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amineAG1557MFCD28902185N-(3-Iodophenyl)-6,7-dimethoxy-4-quinazolinamineCHEMBL960654-Quinazolinamine, N-(3-iodophenyl)-6,7-dimethoxy-
Show more names
A -1557AG 1557AG-1557 ，S0151AG1557, 10 mM in DMSOAG1557,EGFR,Epidermal growth factor receptor,ErbB-1,Inhibitor,inhibit,HER1
4-(3'-Iodophenyl)-amino-6,7-dimethoxyquinazolineBDBM3533orb1225819orb1306688SCHEMBL7123822SCHEMBL30846453C16H14IN3O2GLXC-06246
Database identifiers
- CAS
189290-58-2- PubChem CID
- 5328201
- DTXSID
DTXSID10877962- ChEMBL
CHEMBL96065- Nikkaji
- J967.244C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 360
Experimental & physicochemical properties
LogP3.65
Physicochemical properties
- Boiling point
- 492.9 · 492.9±45.0 °C(Predicted)
- Density
- 1.654 · 1.654±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 0.5 mg/ml · ≤0.5mg/ml in ethanol;1.5mg/ml in DMSO;1mg/ml in dimethyl formamide
- form
- crystalline solid
- pka
- 5.54 · 5.54±0.30(Predicted)
- color
- Off-white to gray
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Applications
DescriptionAG-1557 is an inhibitor of epidermal growth factor receptor (EGFR) tyrosine kinase with a pIC50 value of 8.194.
UsesAG-1557 is a specific and ATP competitive inhibitor of epidermal growth factor receptor (EGFR) tyrosine kinase.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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