88241-95-6

Basic information

• Product Name: 1-butyl-3-(4-formylphenyl)sulfonylurea
• Synonyms: 1-butyl-3-(4-formylphenyl)sulfonylurea
• CAS NO: 88241-95-6
• Molecular Formula: C₁₂H₁₆N₂O₄S
• Molecular Weight: 0
• Mol File: 88241-95-6.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• Density: 1.271g/cm³
• Refractive Index: 1.548
• CAS DataBase Reference: 1-butyl-3-(4-formylphenyl)sulfonylurea(CAS DataBase Reference)
• NIST Chemistry Reference: 1-butyl-3-(4-formylphenyl)sulfonylurea(88241-95-6)
• EPA Substance Registry System: 1-butyl-3-(4-formylphenyl)sulfonylurea(88241-95-6)

Safety Data

• Hazardous Substances Data: 88241-95-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H16N2O4S/c1-2-3-8-13-12(16)14-19(17,18)11-6-4-10(9-15)5-7-11/h4-7,9H,2-3,8H2,1H3,(H2,13,14,16)

Upstream product

• 64-77-7 N-[(butylamino)carbonyl]-4-methyl-benzenesulfonamide 
• 111-36-4 n-butyl isocyanide 
• 88241-94-5 methyl 4-butylaminocarbonylaminosulfonylbenzoate 
• 22808-73-7 methyl 4-sulfamoylbenzoate 
• 5719-85-7 4-hydroxytolbutamide 

Relevant articles and documents

Benchmarking of laboratory evolved unspecific peroxygenases for the synthesis of human drug metabolites

By mimicking the role of human liver P450 monooxygenases, fungal unspecific peroxygenases (UPOs) can perform a range of highly selective oxyfunctionalization reactions on pharmacological compounds, including O-dealkylations and hydroxylations, thereby simulating drug metabolism. Here we have benchmarked human drug metabolite (HDM) synthesis by several evolved UPO mutants, focusing on dextromethorphan, naproxen and tolbutamide. The HDM from dextromethorphan was prepared at the semi-preparative scale as a proof of production. The structural analysis of mutations involved in the synthesis of HDMs highlights the heme access channel as the main feature on which to focus when designing evolved UPOs. These variants are becoming emergent tools for the cost-effective synthesis of HDMs from next-generation drugs.