1427461-82-2

Basic information

• Product Name: C₁₁H₁₁Cl₂N₃O
• CAS NO: 1427461-82-2
• Molecular Weight: 272.134
• Mol File: 1427461-82-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₁H₁₁Cl₂N₃O(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₁H₁₁Cl₂N₃O(1427461-82-2)
• EPA Substance Registry System: C₁₁H₁₁Cl₂N₃O(1427461-82-2)

Safety Data

• Hazardous Substances Data: 1427461-82-2(Hazardous Substances Data)

Upstream product

• 1364822-81-0 ethyl 4-((2,4-dichlorophenyl)(methyl)amino)-3-oxobutanoate 
• 35113-88-3 N-methyl-2,4-dichloro-aniline 

Relevant articles and documents

Arylazanylpyrazolone derivatives as inhibitors of mutant superoxide dismutase 1 dependent protein aggregation for the treatment of amyotrophic lateral sclerosis

The arylsulfanylpyrazolone and aryloxanylpyrazolone scaffolds previously were reported to inhibit Cu/Zn superoxide dismutase 1 dependent protein aggregation and to extend survival in the ALS mouse model. However, further evaluation of these compounds indicated weak pharmacokinetic properties and a relatively low maximum tolerated dose. On the basis of an ADME analysis, a new series of compounds, the arylazanylpyrazolones, has been synthesized, and structure-activity relationships were determined. The SAR results showed that the pyrazolone ring is critical to cellular protection. The NMR, IR, and computational analyses suggest that phenol-type tautomers of the pyrazolone ring are the active pharmacophore with the arylazanylpyrazolone analogues. A comparison of experimental and calculated IR spectra is shown to be a valuable method to identify the predominant tautomer.