19111-74-1

Basic information

• Product Name: Benzonitrile,2,6-dimethyl-N-oxide
• Synonyms: Benzonitrile,2,6-dimethyl-N-oxide
• CAS NO: 19111-74-1
• Molecular Formula: C₉H₉NO
• Molecular Weight: 147.17386
• Mol File: 19111-74-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 0.98g/cm³
• Refractive Index: 1.515
• CAS DataBase Reference: Benzonitrile,2,6-dimethyl-N-oxide(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile,2,6-dimethyl-N-oxide(19111-74-1)
• EPA Substance Registry System: Benzonitrile,2,6-dimethyl-N-oxide(19111-74-1)

Safety Data

• Hazardous Substances Data: 19111-74-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H9NO/c1-7-4-3-5-8(2)9(7)6-10-11/h3-5H,1-2H3

Upstream product

• 1123-56-4 2,6-dimethylbenzaldehyde 
• 15855-34-2 N-[(2,6-dimethylphenyl)methylidene]hydroxylamine 

Downstream Products

• 1441882-08-1 C₁₁H₁₃NO 
• 109057-00-3 3'-(3,5-Dichloro-2,4,6-trimethylphenyl)-3-(2,6-dimethylphenyl)-5-morpholino-4,5,4',5'-tetrahydro-4,5'-spirobi 
• 109056-99-7 3'-(4-Bromo-2,6-dimethylphenyl)-3-(2,6-dimethylphenyl)-5-morpholino-4,5,4',5'-tetrahydro-4,5'-spirobi 
• 109056-97-5 3-(2,6-Dimethylphenyl)-5-morpholino-3'-(2,4,6-trimethylphenyl)-4,5,4',5'-tetrahydro-4,5'-spirobi 
• 109056-89-5 3-(2,6-Dimethylphenyl)-4-methylene-5-morpholino-4,5-dihydroisoxazole 
• 144584-51-0 3-(2,6-Dimethyl-phenyl)-6b-methyl-3a,3b,6a,6b-tetrahydro-1-oxa-2,4,5-triaza-cyclobutadicyclopentene-4-carboxylic acid ethyl ester 
• 144584-50-9 3-(2,6-Dimethyl-phenyl)-8-methyl-9aH-[1,2,4]oxadiazolo[4,5-b][1,2]diazepine-5-carboxylic acid ethyl ester 
• 144584-52-1 N'-[(Z)-3-[3-(2,6-Dimethyl-phenyl)-isoxazol-4-yl]-but-2-en-(E)-ylidene]-hydrazinecarboxylic acid ethyl ester 
• 89612-20-4 3-(2,6-Dimethyl-phenyl)-5-ethyl-[1,2,4]oxadiazole 
• 89612-19-1 3-(2,6-Dimethyl-phenyl)-5-methyl-[1,2,4]oxadiazole 
• 97240-91-0 (2,6-Dimethyl-phenyl)-(5-p-tolyl-tetrazol-2-yl)-methanone oxime 
• 92070-45-6 N-Phenyl-2.6-dimethyl-benzamidoxim 
• 6575-13-9 2,6-dimethylbenzonitrile 
• 128421-58-9 3-(2,6-Dimethyl-phenyl)-5-(4-methoxy-phenyl)-isoxazole-4-carbonitrile 

Relevant articles and documents

Discovery, synthesis, and biological evaluation of a novel group of selective inhibitors of filoviral entry

Herein, we report the development of an antifiloviral screening system, based on a pseudotyping strategy, and its application in the discovery of a novel group of small molecules that selectively inhibit the Ebola and Marburg glycoprotein (GP)-mediated infection of human cells. Using Ebola Zaire GP-pseudotyped HIV particles bearing a luciferase reporter gene and 293T cells, a library of 237 small molecules was screened for inhibition of GP-mediated viral entry. From this assay, lead compound 8a was identified as a selective inhibitor of filoviral entry with an IC50 of 30 μM. To analyze functional group requirements for efficacy, a structure-activity relationship analysis of this 3,5-disubstituted isoxazole was then conducted with 56 isoxazole and triazole derivatives prepared using "click" chemistry. This study revealed that while the isoxazole ring can be replaced by a triazole system, the 5-(diethylamino)acetamido substituent found in 8a is required for inhibition of viral-cell entry. Variation of the 3-aryl substituent provided a number of more potent antiviral agents with IC50 values ranging to 2.5 μM. Lead compound 8a and three of its derivatives were also found to block the Marburg glycoprotein (GP)-mediated infection of human cells.