1046859-38-4

Basic information

• Product Name: 2-amino-4-{2,4-dichloro-6-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl}-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid bicyclo[1.1.1]pent-1-ylamide
• Synonyms: 2-amino-4-{2,4-dichloro-6-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl}-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid bicyclo[1.1.1]pent-1-ylamide
• CAS NO: 1046859-38-4
• Molecular Weight: 514.414
• Mol File: 1046859-38-4.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 2-amino-4-{2,4-dichloro-6-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl}-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid bicyclo[1.1.1]pent-1-ylamide(CAS DataBase Reference)
• NIST Chemistry Reference: 2-amino-4-{2,4-dichloro-6-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl}-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid bicyclo[1.1.1]pent-1-ylamide(1046859-38-4)
• EPA Substance Registry System: 2-amino-4-{2,4-dichloro-6-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl}-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid bicyclo[1.1.1]pent-1-ylamide(1046859-38-4)

Safety Data

• Hazardous Substances Data: 1046859-38-4(Hazardous Substances Data)

Upstream product

• 177287-49-9 1-aminobicyclo<1.1.1>pentane 
• 3751-82-4 ethyl 1-ethoxycarbonyl-4-oxopyrrolidine-3-carboxylate 
• 591-35-5 3,5-dichlorophenol 
• 1207961-45-2 4-iodo-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-ylamine hydrogen iodide salt 
• 1046861-17-9 2-amino-4-chloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid ethyl ester 
• 1046861-16-8 2-amino-4-hydroxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid ethyl ester 
• 1028332-22-0 (2,4-dichloro-6-hydroxyphenyl)boronic acid 
• 1046861-49-7 2-amino-4-iodo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid bicyclo[1.1.1]pent-1-ylamide 
• 1028332-21-9 2-(2,4-dichloro-6-(ethoxymethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 1028332-20-8 1,5-dichloro-3-(ethoxymethoxy)-2-iodobenzene 
• 1028332-19-5 3,5-dichloro-2-iodophenol 
• 1046861-46-4 Imidazole-1-carboxylic acid bicyclo[1.1.1]pent-1-ylamide 
• 1046861-53-3 1-(2-chloroethyl)-4-methyl-1H-pyrazole 
• 1046861-51-1 2-amino-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid bicyclo[1.1.1]pent-1-ylamide 

Relevant articles and documents

Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1h- pyrazol-1-yl)ethoxy]-6-methylphenyl}-n-(2,2-difluoropropyl)-5, 7-dihydro-6h-pyrrolo[3,4-d]pyrimidine-6-carboxamide

Figure Presented. A novel class of heat shock protein 90 (Hsp90) inhibitors was discovered by high-throughput screening and was subsequently optimized using a combination of structure-based design, parallel synthesis, and the application of medicinal chemistry principles. Through this process, the biochemical and cell-based potency of the original HTS lead were substantially improved along with the corresponding metabolic stability properties. These efforts culminated with the identification of a development candidate (compound 42) which displayed desired PK/PD relationships, significant efficacy in a melanoma A2058 xenograft tumor model, and attractive DMPK profiles.