4-Acetylacetanilide

CAS: 2719-21-3

Ref. 3D-FA67769

Product Information

• Name: 4-Acetylacetanilide
• Synonyms: 4-Acetamidoacetophenone
• Brand: Biosynth
• Description: 4-Acetylacetanilide is a pyrazoline that can be used as an inhibitor of the enzyme acetylcholinesterase. It has shown high specificity and inhibition concentration values for this enzyme, with a KI of 1.5 μM. 4-Acetylacetanilide also has been found to have a linear relationship with the logarithm of the concentration of inhibitor and with the logarithm of the rate constant for hydrolysis. The model used to predict its inhibitory effect on acetylcholinesterase is based on its active site residues, which are predicted to be H-bond acceptors in intramolecular hydrogen bonds with the substrate's hydroxyl group. This model predicts that 4-acetylacetanilide will bind to acetylcholinesterase in a similar way as physostigmine, a drug that is known to inhibit this enzyme by binding at its active site

Chemical properties

• Molecular weight: 177.2 g/mol
• Formula: C₁₀H₁₁NO₂
• Purity: Min. 95%
• Color/Form: Powder
• InChI: InChI=1S/C10H11NO2/c1-7(12)9-3-5-10(6-4-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)
• InChI key: InChIKey=WECHHDJTILFYQT-UHFFFAOYSA-N
• SMILES: CC(=O)Nc1ccc(C(C)=O)cc1