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2'-Amino-3'-methoxyflavone

CAT: 0127-BIP0711-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BIP0711-01Size:100 mg
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CAS Number
167869-21-8
MDL Number
MFCD00671789
Purity
98%
Smiles
COc1cccc(C2=CC(=O)c3ccccc3O2)c1N
Additionnal Information
Store at -20°C
Storage Conditions
Store at -20°C
Notes
Specific inhibitor of MAPK kinase

Chemical Information

2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one

2-(2-amino-3-methoxyphenyl)chromen-4-one is a member of the class of monomethoxyflavones that is 3'-methoxyflavone bearing an additional amino substituent at position 2'. It has a role as a geroprotector and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a monomethoxyflavone and an aromatic amine.

CAS Number167869-21-8
PubChem CID4713
IUPAC Name2-(2-amino-3-methoxyphenyl)chromen-4-one
Molecular FormulaC16H13NO3
Molecular Weight267.28
XLogP2.9
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity407
SMILES
COC1=CC=CC(=C1N)C2=CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3
InChIKey
QFWCYNPOPKQOKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one
CAS: 167869-21-8
CID: 4713
Formula: C16H13NO3
MW: 267.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.28
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass267.08954328
Monoisotopic Mass267.08954328
Topological Polar Surface Area61.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity407
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

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