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AG-1478 50mg

CAT: 0628-A11022-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A11022-50Size:50 mg
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CAS Number
153436-53-4

Chemical Information

N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine

Tyrphostin AG 1478 is a member of the class of quinazolines that is quinazoline substituted by methoxy groups at positions 6 and 7 and a (3-chlorophenyl)nitrilo group at position 4. It acts as an epidermal growth factor receptor antagonist. It has a role as a geroprotector, an antiviral agent, an antineoplastic agent and an epidermal growth factor receptor antagonist. It is an aromatic ether, a member of quinazolines and a member of monochlorobenzenes.

CAS Number153436-53-4
PubChem CID2051
IUPAC NameN-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine
Molecular FormulaC16H14ClN3O2
Molecular Weight315.75
XLogP4
Topological Polar Surface Area56.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity360
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC
InChI
InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
InChIKey
GFNNBHLJANVSQV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
CAS: 153436-53-4
CID: 2051
Formula: C16H14ClN3O2
MW: 315.75
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight315.75
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass315.0774544
Monoisotopic Mass315.0774544
Topological Polar Surface Area56.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes