181431-42-5

Basic information

• Product Name: 5-Benzyloxy-2-ethoxymethyl-pyran-4-one
• CAS NO: 181431-42-5
• Molecular Weight: 260.29
• Mol File: 181431-42-5.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 5-Benzyloxy-2-ethoxymethyl-pyran-4-one(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Benzyloxy-2-ethoxymethyl-pyran-4-one(181431-42-5)
• EPA Substance Registry System: 5-Benzyloxy-2-ethoxymethyl-pyran-4-one(181431-42-5)

Safety Data

• Hazardous Substances Data: 181431-42-5(Hazardous Substances Data)

Upstream product

• 100-39-0 benzyl bromide 
• 501-30-4 5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one 
• 15771-06-9 5-benzyloxy-2-hydroxymethyl-4H-pyran-4-one 
• 75-03-6 ethyl iodide 

Downstream Products

• 722500-65-4 3-benzyloxy-6-ethoxymethyl-4-oxo-4H-pyran-2-carboxylic acid 
• 722500-63-2 3-benzyloxy-6-ethoxymethyl-2-hydroxymethyl-pyran-4-one 
• 722500-61-0 6-ethoxymethyl-3-hydroxy-2-hydroxymethyl-pyran-4-one 
• 135100-43-5 2-(ethoxymethyl)-5-hydroxy-4H-pyran-4-one 

Relevant articles and documents

The monoethyl ester of meconic acid is an active site inhibitor of HCV NS5B RNA-dependent RNA polymerase

Screening of the in-house sample collection for compounds with HCV NS5B RNA dependent RNA polymerase inhibition led to the identification of a new lead. Afterwards, we discovered that the screening lead, rather than containing the expected structure 1, was comprised of roughly a 1:1 mixture of meconic acid 2 and its monoethyl ester 3, with all inhibitory potency residing with 3. We propose that this compound shares critical common features for activity with α,γ-diketoacids inhibitors previously discovered by our group. SAR around this molecule will be presented to provide an improved basis for structure-based ligand design.