851577-43-0

Basic information

• Product Name: 5-(((tert-butoxycarbonyl)amino)methyl)-6-isobutyl-2-methyl-4-(4-methylphenyl)nicotinic acid
• Synonyms: 5-(((tert-butoxycarbonyl)amino)methyl)-6-isobutyl-2-methyl-4-(4-methylphenyl)nicotinic acid
• CAS NO: 851577-43-0
• Molecular Weight: 412.529
• Mol File: 851577-43-0.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 5-(((tert-butoxycarbonyl)amino)methyl)-6-isobutyl-2-methyl-4-(4-methylphenyl)nicotinic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(((tert-butoxycarbonyl)amino)methyl)-6-isobutyl-2-methyl-4-(4-methylphenyl)nicotinic acid(851577-43-0)
• EPA Substance Registry System: 5-(((tert-butoxycarbonyl)amino)methyl)-6-isobutyl-2-methyl-4-(4-methylphenyl)nicotinic acid(851577-43-0)

Safety Data

• Hazardous Substances Data: 851577-43-0(Hazardous Substances Data)

Upstream product

• 851577-42-9 methyl 5-{[(tert-butoxycarbonyl)amino]methyl}-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylate 
• 907611-08-9 5-methyl-2-[(4-methylphenyl)methylidene]-3-oxohexanenitrile 
• 851577-39-4 methyl 5-cyano-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate 
• 851577-40-7 methyl 5-cyano-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylate 
• 851577-38-3 methyl 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylate 
• 556-24-1 methyl 3-methylbutanoate 
• 64373-43-9 5-methyl-3-oxo-hexanenitrile 
• 24424-99-5 di-tert-butyl dicarbonate 

Downstream Products

• 851577-47-4 tert-butyl {[5-[(3-amino-3-oxopropyl)amino]carbonyl-2-isobutyl-6-methyl-4-(4-methylphenyl)pyridin-3-yl]methyl}carbamate 
• 851581-18-5 4-(methoxycarbonyl)benzyl 5-(((tert-butoxycarbonyl)amino)methyl)-6-isobutyl-2-methyl-4-(4-methylphenyl)nicotinate 
• 851581-40-3 (2E)-2-(3-oxo-2-benzofuran-1(3H)-ylidene)ethyl 5-{[(tert-butoxycarbonyl)amino]methyl}-6-isobutyl-2-methyl-4-(4-methylphenyl)nicotinate 
• 851578-29-5 pyridin-2-ylmethyl 5-{[(tert-butoxycarbonyl)amino]methyl}-6-isobutyl-2-methyl-4-(4-methylphenyl)nicotinate 
• 851578-27-3 4-(((5-(((tert-butoxycarbonyl)amino)methyl)-6-isobutyl-2-methyl-4-(4-methylphenyl)pyridin-3-yl)carbonyl)oxy)butanoic acid 
• 851581-20-9 4-((((5-(((tert-butoxycarbonyl)amino)methyl)-6-isobutyl-2-methyl-4-(4-methylphenyl)pyridin-3-yl)carbonyl)oxy)methyl)benzoic acid 
• 851578-25-1 4-ethoxy-4-oxobutyl 5-(((tert-butoxycarbonyl)amino)methyl)-6-isobutyl-2-methyl-4-(4-methylphenyl)nicotinate 
• 851581-22-1 cyanomethyl 5-{[(tert-butoxycarbonyl)amino]methyl}-6-isobutyl-2-methyl-4-(4-methylphenyl)nicotinate 
• 851581-43-6 2-oxo-1,3-dioxolan-4-yl 5-{[(tert-butoxycarbonyl)amino]methyl}-6-isobutyl-2-methyl-4-(4-methylphenyl)nicotinate 
• 851581-41-4 benzyl 5-(aminomethyl)-6-isobutyl-2-methyl-4-(4-methylphenyl)nicotinate 

Relevant articles and documents

Design of potent dipeptidyl peptidase IV (DPP-4) inhibitors by employing a strategy to form a salt bridge with Lys554

We report a design strategy to obtain potent DPP-4 inhibitors by incorporating salt bridge formation with Lys554 in the S1′ pocket. By applying the strategy to the previously identified templates, quinoline 4 and pyridines 16a, 16b, and 17 have been identified as subnanomolar or nanomolar inhibitors of human DPP-4. Docking studies suggested that a hydrophobic interaction with Tyr547 as well as the salt bridge interaction is important for the extremely high potency. The design strategy would be useful to explore a novel design for DPP-4 inhibitors having a distinct structure with a unique binding mode.

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