660449-97-8

Basic information

• Product Name: 4-Thiazolecarboxylic acid, 2-[3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-(4-methylphenyl)-2- (2-methylpropyl)-6-quinolinyl]-, ethyl ester
• CAS NO: 660449-97-8
• Molecular Formula: C32H37N3O4S
• Molecular Weight: 559.729
• Mol File: 660449-97-8.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 4-Thiazolecarboxylic acid, 2-[3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-(4-methylphenyl)-2- (2-methylpropyl)-6-quinolinyl]-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Thiazolecarboxylic acid, 2-[3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-(4-methylphenyl)-2- (2-methylpropyl)-6-quinolinyl]-, ethyl ester(660449-97-8)
• EPA Substance Registry System: 4-Thiazolecarboxylic acid, 2-[3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-(4-methylphenyl)-2- (2-methylpropyl)-6-quinolinyl]-, ethyl ester(660449-97-8)

Safety Data

• Hazardous Substances Data: 660449-97-8(Hazardous Substances Data)

Upstream product

• 3034-52-4 2-chlorothiazole 
• 660449-16-1 3-{[(tert-butoxycarbonyl)amino]methyl}-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl trifluoromethanesulfonate 
• 64-17-5 ethanol 
• 584-08-7 potassium carbonate 
• 41731-52-6 2-chloro-thiazole-4-carboxylic acid ethyl ester 
• 660449-04-7 tert-butyl {[6-hydroxy-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-3-yl]methyl}carbamate 

Downstream Products

• 660449-99-0 2-(3-(((tert-butoxycarbonyl)amino)methyl)-2-isobutyl-4-(4-methylphenyl)quinolin-6-yl)-1,3-thiazole-4-carboxylic acid 
• 660450-01-1 tert-butyl ((6-(4-carbamoyl-1,3-thiazol-2-yl)-2-isobutyl-4-(4-methylphenyl)quinolin-3-yl)methyl)carbamate 
• 660450-97-5 tert-butyl ((2-isobutyl-6-(4-(methoxy(methyl)carbamoyl)-1,3-thiazol-2-yl)-4-(4-methylphenyl)quinolin-3-yl)methyl)carbamate 
• 660450-98-6 tert-butyl ((6-(4-acetyl-1,3-thiazol-2-yl)-2-isobutyl-4-(4-methylphenyl)quinolin-3-yl)methyl)carbamate 

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.