253268-21-2

Basic information

• Product Name: 2'-benzyloxy-3'-chloro-4',5'-dimethylisonitrosoacetanilide
• Synonyms: 2'-benzyloxy-3'-chloro-4',5'-dimethylisonitrosoacetanilide
• CAS NO: 253268-21-2
• Molecular Weight: 332.787
• Mol File: 253268-21-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2'-benzyloxy-3'-chloro-4',5'-dimethylisonitrosoacetanilide(CAS DataBase Reference)
• NIST Chemistry Reference: 2'-benzyloxy-3'-chloro-4',5'-dimethylisonitrosoacetanilide(253268-21-2)
• EPA Substance Registry System: 2'-benzyloxy-3'-chloro-4',5'-dimethylisonitrosoacetanilide(253268-21-2)

Safety Data

• Hazardous Substances Data: 253268-21-2(Hazardous Substances Data)

Upstream product

• 302-17-0 chloral hydrate 
• 160582-67-2 2-benzyloxy-3-chloro-4,5-dimethylaniline 
• 160582-66-1 2-benzyloxy-3-chloro-4,5-dimethyl-1-nitrobenzene 
• 18087-10-0 4,5-dimethyl-2-nitrophenol 
• 95-65-8 3,4-Dimethylphenol 

Downstream Products

• 160582-52-5 7-benzyloxy-6-chloro-4,5-dimethylisatin 
• 160582-53-6 3-benzyloxy-4-chloro-5,6-dimethylanthranilic acid 

Relevant articles and documents

Synthesis and QSAR of substituted 3-hydroxyanthranilic acid derivatives as inhibitors of 3-hydroxyanthranilic acid dioxygenase (3-HAO)

Novel 4,5-, 4,6-disubstituted and 4,5,6-trisubstituted 3- hydroxyanthranilic acid derivatives were synthesized and their ability to reduce the production of the excitotoxin quinolinic acid (QUIN) by inhibition of brain 3-hydroxyanthranilic acid dioxygenase (3-HAO) was subsequently investigated. The potency of the compounds to inhibit 3-HAO was assayed in rat brain homogenate, while chemical stability of certain compounds was studied by HPLC. The data were used to generate quantitative structure- activity relationship (QSAR) models for potency of 3-HAO inhibition and compound stability. Compounds with longer half-lives were obtained when the difference between the HOMO and LUMO was increased, while electron withdrawing groups in the 4- and 5-positions increased the potency of 3-HAO inhibition. Selected compounds that showed high potency in vitro were also found to be efficacious inhibitors in vivo after cerebral administration in rats.