134472-29-0

Basic information

• Product Name: Benzonitrile, 3,5-dimethyl-4-(4-pentynyloxy)-
• CAS NO: 134472-29-0
• Molecular Formula: C14H15NO
• Molecular Weight: 213.279
• Mol File: 134472-29-0.mol

Chemical Properties

• CAS DataBase Reference: Benzonitrile, 3,5-dimethyl-4-(4-pentynyloxy)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 3,5-dimethyl-4-(4-pentynyloxy)-(134472-29-0)
• EPA Substance Registry System: Benzonitrile, 3,5-dimethyl-4-(4-pentynyloxy)-(134472-29-0)

Safety Data

• Hazardous Substances Data: 134472-29-0(Hazardous Substances Data)

Upstream product

• 14267-92-6 1-chloro-4-pentyne 
• 4198-90-7 3,5-dimethyl-4-hydroxybenzonitrile 
• 2374-05-2 4-bromo-2,6-dimethyl-phenol 
• 576-26-1 2.6-dimethylphenol 
• 23382-09-4 silicon dioxide hydrate 
• 130800-76-9 3-(3-methylisoxazol-5-yl)propyl chloride 

Downstream Products

• 130226-12-9 4-<<3-(3-ethyl-5-isoxazolyl)propyl>oxy>-3,5-dimethylbenzonitrile 
• 153168-53-7 5-(trifluoromethyl)-3-<3,5-dimethyl-4-(4-pentyn-1-yloxy)phenyl>-1,2,4-oxadiazole 
• 162854-13-9 N-Hydroxy-4-{3-[3-(2-methoxy-ethyl)-isoxazol-5-yl]-propoxy}-3,5-dimethyl-benzamidine 
• 153168-56-0 4-[3-(3-Ethyl-isoxazol-5-yl)-propoxy]-N-hydroxy-3,5-dimethyl-benzamidine 
• 156787-40-5 3-(4-{3-[3-(2-Methoxy-ethyl)-isoxazol-5-yl]-propoxy}-3,5-dimethyl-phenyl)-5-methyl-[1,2,4]oxadiazole 

Relevant articles and documents

Novel pleconaril derivatives: Influence of substituents in the isoxazole and phenyl rings on the antiviral activity against enteroviruses

Today, there are no medicines to treat enterovirus and rhinovirus infections. In the present study, a series of novel pleconaril derivatives with substitutions in the isoxazole and phenyl rings was synthesized and evaluated for their antiviral activity against a panel of pleconaril-sensitive and -resistant enteroviruses. Studies of the structure-activity relationship demonstrate the crucial role of the N,N-dimethylcarbamoyl group in the isoxazole ring for antiviral activity against pleconaril-resistant viruses. In addition, one or two substituents in the phenyl ring directly impact on the spectrum of antienteroviral activity. The 3-(3-methyl-4-(3-(3-N,N-dimethylcarbamoyl-isoxazol-5-yl)propoxy)phenyl)-5-trifluoromethyl-1,2,4-oxadiazole 10g was among the compounds exhibiting the strongest activity against pleconaril-resistant as well as pleconaril-susceptible enteroviruses with IC50 values from 0.02 to 5.25 μM in this series. Compound 10g demonstrated markedly less CYP3A4 induction than pleconaril, was non-mutagenic, and was bioavailable after intragastric administration in mice. These results highlight compound 10g as a promising potential candidate as a broad spectrum enterovirus and rhinovirus inhibitor for further preclinical investigations.

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