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Chemical structure of Avenanthramide-C methyl ester

GC42880

Avenanthramide-C methyl ester

Also known as methyl 2-[3-(3,4-dihydroxyphenyl)prop-2-enoylamino]-5-hydroxybenzoate

Avenanthramide-C methyl ester is an inhibitor of NF-κB activation that acts by blocking the phosphorylation of IKK and IκB (IC50 ~ 40 μM)

ChemicalCAS955382-52-2MW329.3FormulaC17H15NO6
CAS number
955382-52-2
Molecular weight
329.3
Formula
C17H15NO6
Solubility
DMF： 20 mg/ml,DMSO： 20 mg/ml,DMSO：PBS(pH7·2) (1：1)： 0·5 mg/ml,Ethanol： 10 mg/ml
InChIKey
IUZHCICFVDHVMC-UHFFFAOYSA-N
Catalogue number
GC42880
Brand
GLPBIO
Computed properties PubChem CID 53394058 · XLogP 2.4 · TPSA 116 Ų · H-bond donors 4
XLogP
2.4
TPSA
116 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
24

SMILES COC(=O)C1=C(C=CC(=C1)O)NC(=O)C=CC2=CC(=C(C=C2)O)O

Computed descriptors from PubChem (CID 53394058), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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