170279-11-5

Basic information

• Product Name: 2,4-Dibenzyloxybenzonitrile
• Synonyms: 2,4-Dibenzyloxybenzonitrile
• CAS NO: 170279-11-5
• Molecular Weight: 315.371
• Mol File: 170279-11-5.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 2,4-Dibenzyloxybenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-Dibenzyloxybenzonitrile(170279-11-5)
• EPA Substance Registry System: 2,4-Dibenzyloxybenzonitrile(170279-11-5)

Safety Data

• Hazardous Substances Data: 170279-11-5(Hazardous Substances Data)

Upstream product

• 13246-46-3 2,4-dibenzyloxybenzaldehyde 
• 3939-09-1 2,4-difluorobenzonitrile 
• 20194-18-7 sodium phenyl-methanolate 
• 627-13-4 propyl nitrate 
• 95-01-2 2,4-Dihydroxybenzaldehyde 
• 100-39-0 benzyl bromide 

Downstream Products

• 625088-64-4 C₂₃H₂₃NO₃ 

Relevant articles and documents

Identification, synthesis and pharmacological evaluation of novel anti-EV71 agents via cyclophilin A inhibition

In this work, the relationship between cyclophilin A (CypA) and EV71 prompted us to screen a series of small molecular CypA inhibitors which were previously reported by our group. Among them, compounds 1 and 2 were discovered as non-immunosuppressive anti-EV71 agents with an EC50 values of 1.07 ± 0.17 μM and 3.36 ± 0.45 μM in virus assay, respectively, which were desirably for the further study. The subsequent chemical modifications derived a novel class of molecules, among which compound 11 demonstrated the most potent anti-EV71 activity in virus assay (EC50 = 0.37 ± 0.17 μM), and low cytotoxicity (CC50 > 25 μM). The following CypA enzyme inhibition studies indicated that there was not only the enzyme inhibition activity, undoubtedly important, functioning in the antiviral process, but also some unknown mechanisms worked in combination, and the further study is underway in our laboratory. Nevertheless, to the best of our knowledge, compound 11 was probably the most potent small molecular anti-EV71 agent via CypA inhibitory mechanism to date. Consequently, our study provided a new potential small molecule for curing EV71 infection.

Selective endothelin A receptor ligands. 1. Discovery and structure-activity of 2,4-disubstituted benzoic acid derivatives

This paper describes the discovery of a new non-peptide endothelin A (ET(A)) selective ligand, 2,4-dibenzyloxybenzoic acid 3, which inhibits the binding of [125I]ET-1 to ET(A) receptors with an IC50 of 9 μM (ET-1 = endothelin-1). Optimisation of 3 resulted in compound 52 which had an IC50 of 1 μM. One of the analogues of 3, compound 15, was examined in a functional assay and shown to antagonise ET-1-induced contraction of rat aorta. The identification of 3 was made through the application of ChemDBS-3D searching of our corporate database. The 3D query, using an aromatic ring to a carboxylic acid group separated by 10.2 ± 1.1 A, was derived from an examination of common pharmacophoric distances found in the low energy conformations of two known ET(A) antagonists, the cyclic pentapeptide BQ 123 1 and myriceron caffeoyl ester 2.