3179-11-1

Basic information

• Product Name: Benzoic acid, 4-(2-nitroethenyl)-
• CAS NO: 3179-11-1
• Molecular Formula: C9H7NO4
• Molecular Weight: 193.159
• Mol File: 3179-11-1.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 4-(2-nitroethenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-(2-nitroethenyl)-(3179-11-1)
• EPA Substance Registry System: Benzoic acid, 4-(2-nitroethenyl)-(3179-11-1)

Safety Data

• Hazardous Substances Data: 3179-11-1(Hazardous Substances Data)

Upstream product

• 75-52-5 nitromethane 
• 619-66-9 4-Carboxybenzaldehyde 
• 874-60-2 4-methyl-benzoyl chloride 
• 52780-16-2 4-bromomethylbenzoyl chloride 
• 6232-88-8 4-bromomethylbenzoic Acid 

Downstream Products

• 1394229-97-0 C₂₂H₂₂N₂O₅ 
• 96441-30-4 p-(2-nitrovinyl)-benzoyl-alanine cysteine adduct 
• 96441-31-5 N-succinimidyl-p-(2-nitrovinyl)-benzoate mercaptopropionic acid adduct 
• 96452-41-4 p-(2-nitrovinyl)-benzoyl-alanine mercaptopropionic acid adduct 
• 72086-74-9 4-(2-Nitrovinyl)-benzoesaeurechlorid 
• 97185-84-7 2,4-dinitrophenyl-p-(β-nitrovinyl)benzoate 
• 102564-38-5 N-succinimidyl-p-(2-nitrovinyl)-benzoate 

Relevant articles and documents

A Nitroalkene Benzoic Acid Derivative Targets Reactive Microglia and Prolongs Survival in an Inherited Model of ALS via NF-κB Inhibition

Motor neuron degeneration and neuroinflammation are the most striking pathological features of amyotrophic lateral sclerosis (ALS). ALS currently has no cure and approved drugs have only a modest clinically therapeutic effect in patients. Drugs targeting

NITROALKENE NON STEROIDAL ANTI-INFLAMMATORY DRUGS (NA-NSAIDS) AND METHODS OF TREATING INFLAMMATION RELATED CONDITIONS

Nitroalkene non-steroidal anti-inflammatory compounds, pharmaceutical compositions thereof, and methods of treating inflammation related conditions.

Synthesis and biological evaluation of novel inhibitors against 1,3,8-trihydroxynaphthalene reductase from Magnaporthe grisea

1,3,8-Trihydroxynaphthalene reductase (3HNR) is an essential enzymes that is involved in fungal melanin biosynthesis. Based on the structural informations of active site of 3HNR, a series of β-nitrostyrene compounds were rationally designed and synthesized. The enzymatic activities of these compounds showed that most of them exhibited high inhibitory activities (50 = 0.29 μM). In particular, some of these compounds had moderate fungicidal activity against Magnaporthe grisea. Compound 3-4 showed high in vivo activities against M. grisea (EC50 = 9.5 ppm). Furthermore, compound 3-2 was selected as a representative molecule, and the probable binding mode of this compound and the surrounding residues in the active site of 3HNR was elucidated by using molecular dock. The positive results suggest that β-nitrostyrene derivatives are most likely to be promising leads toward the discovery of novel agent of rice blast.