119179-46-3

Basic information

• Product Name: N-1,3-BENZODIOXOL-5-YLUREA
• Synonyms: N-1,3-BENZODIOXOL-5-YLUREA;1,3-BENZODIOXOL-5-YLUREA
• CAS NO: 119179-46-3
• Molecular Formula: C8H8N2O3
• Molecular Weight: 180.16
• Mol File: 119179-46-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 303.9±31.0 °C(Predicted)
• Appearance: /
• Density: 1.490±0.06 g/cm3(Predicted)
• PKA: 13.95±0.20(Predicted)
• CAS DataBase Reference: N-1,3-BENZODIOXOL-5-YLUREA(CAS DataBase Reference)
• NIST Chemistry Reference: N-1,3-BENZODIOXOL-5-YLUREA(119179-46-3)
• EPA Substance Registry System: N-1,3-BENZODIOXOL-5-YLUREA(119179-46-3)

Safety Data

• Hazardous Substances Data: 119179-46-3(Hazardous Substances Data)

Upstream product

• 54022-34-3 benzo[d][1,3]dioxole-5-carbonyl azide 
• 94-53-1 Piperonylic acid 
• 917-61-3 sodium isocyanate 
• 14268-66-7 benzo[1,3]dioxolo-5-ylamine 

Relevant articles and documents

Exploration of a Library of 3,4-(Methylenedioxy)aniline-Derived Semicarbazones as Dual Inhibitors of Monoamine Oxidase and Acetylcholinesterase: Design, Synthesis, and Evaluation

A library of 3,4-(methylenedioxy)aniline-derived semicarbazones was designed, synthesized, and evaluated as monoamine oxidase (MAO) and acetylcholinesterase (AChE) inhibitors for the treatment of neurodegenerative diseases. Most of the new compounds selectively inhibited MAO-B and AChE, with IC50values in the micro- or nanomolar ranges. Compound 16, 1-(2,6-dichlorobenzylidene)-4-(benzo[1,3]dioxol-5-yl)semicarbazide presented a balanced multifunctional profile of MAO-A (IC50=4.52±0.032 μm), MAO-B (IC50=0.059±0.002 μm), and AChE (IC50=0.0087±0.0002 μm) inhibition without neurotoxicity. Kinetic studies revealed that compound 16 exhibits competitive and reversible inhibition against MAO-A and MAO-B, and mixed-type inhibition against AChE. Molecular docking studies further revealed insight into the possible interactions within the enzyme–inhibitor complexes. The most active compounds were found to interact with the enzymes through hydrogen bonding and hydrophobic interactions. Additionally, in silico molecular properties and ADME properties of the synthesized compounds were calculated to explore their drug-like characteristics.

Substituted quinazolines and analogs and use thereof

The invention relates to novel quinazolines and heterocycles which are antagonists or positive modulators of AMPA receptors, and the use thereof for treating, preventing or ameliorating neuronal loss associated with stroke, global and focal ischemia, CNS trauma, hypoglycemia and surgery, as well as treating or ameliorating neurodegenerative diseases including Alzheimer's disease, amyotrophic lateral sclerosis, Huntington's disease, Parkinson's disease and Down's syndrome, treating, preventing or ameliorating the adverse consequences of the overstimulation of the excitatory amino acids, treating, preventing or ameliorating anxiety, psychosis, convulsions, chronic pain, glaucoma, retinitis, urinary incontinence, muscular spasm and inducing anesthesia, as well as for treating or ameliorating the adverse consequences of excitatory amino acid deficiency such as schizophrenia, myoclonus. Alzheimer's disease and malnutrition and neural maldevelopment, and as cognition and learning enhancers.