1046859-34-0

Basic information

• Product Name: PF-4942847
• Synonyms: PF-4942847;2-aMino-4-(2,4-dichloro-6-(2-(4-fluoro-4,5-dihydropyrazol-1-yl)ethoxy)phenyl)-N-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-d]pyriMidine-6(7H)-carboxaMide;2-Amino-4-[2,4-dichloro-6-[2-(1H-pyrazol-1-yl)ethoxy]phenyl]-5,7-dihydro-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;PF-04942487
• CAS NO: 1046859-34-0
• Molecular Formula: C₂₀H₁₈Cl₂F₃N₇O₂
• Molecular Weight: 536.3101728
• Mol File: 1046859-34-0.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• Density: 1.64
• CAS DataBase Reference: PF-4942847(CAS DataBase Reference)
• NIST Chemistry Reference: PF-4942847(1046859-34-0)
• EPA Substance Registry System: PF-4942847(1046859-34-0)

Safety Data

• Hazardous Substances Data: 1046859-34-0(Hazardous Substances Data)

Usage

Uses

A novel potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitor of heat shock protein 90 (Hsp90). It has been shown to induce degradation of multiple client proteins, cell-cycle block, apoptosis, and inhibits cell proliferation in triple-negative breast cancer (TNBC) lines, subsequently leading to tumor growth inhibition in mouse xenograft models.

Upstream product

• 3751-82-4 ethyl 1-ethoxycarbonyl-4-oxopyrrolidine-3-carboxylate 
• 591-35-5 3,5-dichlorophenol 
• 1028332-22-0 (2,4-dichloro-6-hydroxyphenyl)boronic acid 
• 1046859-32-8 2-amino-4-[2,4-dichloro-6-(2-(pyrazol-1-yl)ethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid ethyl ester 
• 1046861-45-3 2-amino-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid ethyl ester 
• 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 
• 1028332-21-9 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 
• 1046861-47-5 N-(2,2,2-trifluoroethyl)-1H-imidazole-1-carboxamide 
• 1046861-69-1 4-[2,4-dichloro-6-(2-(pyrazol-1-yl)ethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-ylamine hydrogen iodide salt 

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.