915297-06-2

Basic information

• Product Name: 6H-Pyrrolo[3,4-b]pyridine-6-acetic acid, 4-(2,4-dichlorophenyl)-5,7-dihydro-3-(hydroxymethyl)-2-methyl-5-oxo-, 1,1-dimethylethyl ester
• CAS NO: 915297-06-2
• Molecular Formula: C21H22Cl2N2O4
• Molecular Weight: 437.323
• Mol File: 915297-06-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 6H-Pyrrolo[3,4-b]pyridine-6-acetic acid, 4-(2,4-dichlorophenyl)-5,7-dihydro-3-(hydroxymethyl)-2-methyl-5-oxo-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 6H-Pyrrolo[3,4-b]pyridine-6-acetic acid, 4-(2,4-dichlorophenyl)-5,7-dihydro-3-(hydroxymethyl)-2-methyl-5-oxo-, 1,1-dimethylethyl ester(915297-06-2)
• EPA Substance Registry System: 6H-Pyrrolo[3,4-b]pyridine-6-acetic acid, 4-(2,4-dichlorophenyl)-5,7-dihydro-3-(hydroxymethyl)-2-methyl-5-oxo-, 1,1-dimethylethyl ester(915297-06-2)

Safety Data

• Hazardous Substances Data: 915297-06-2(Hazardous Substances Data)

Upstream product

• 915296-81-0 3-benzyl 5-ethyl 6-(chloromethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3,5-dicarboxylate 
• 874-42-0 2,4-dichlorobenzaldeyhde 
• 915296-80-9 3-benzyl 5-ethyl 6-(chloromethyl)-4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate 
• 915297-05-1 6-(2-tert-butoxy-2-oxoethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxylic acid 
• 915297-04-0 benzyl 6-(2-tert-butoxy-2-oxoethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxylate 
• 915296-79-6 (Z)-ethyl 4-chloro-2-(2,4-dichlorobenzylidene)-3-oxobutanoate 
• 1454705-52-2 tert-butyl 2-(3-(chlorocarbonyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)acetate 

Downstream Products

• 915731-88-3 (S)-tert-butyl (4-(2,4-dichlorophenyl)-6-(2-(dimethylamino)-2-oxoethyl)-2-methyl-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methylcarbamate 
• 915731-62-3 (R)-tert-Butyl 2-(3-(chloromethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)acetate 

Relevant articles and documents

Optimization of activity, selectivity, and liability profiles in 5-oxopyrrolopyridine DPP4 inhibitors leading to clinical candidate (Sa)-2-(3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b] pyridin-6(7H)-yl)-N, N-dimethylacetamide (BMS-767778)

Optimization of a 5-oxopyrrolopyridine series based upon structure-activity relationships (SARs) developed from our previous efforts on a number of related bicyclic series yielded compound 2s (BMS-767778) with an overall activity, selectivity, efficacy, PK, and developability profile suitable for progression into the clinic. SAR in the series and characterization of 2s are described.