957855-87-7

Basic information

• Product Name: (R)-4-((8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)-3-ethoxy-N-(1-methylpiperidin-4-yl)-benzamide
• Synonyms: (R)-4-((8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)-3-ethoxy-N-(1-methylpiperidin-4-yl)-benzamide
• CAS NO: 957855-87-7
• Molecular Weight: 535.69
• Mol File: 957855-87-7.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: (R)-4-((8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)-3-ethoxy-N-(1-methylpiperidin-4-yl)-benzamide(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-4-((8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)-3-ethoxy-N-(1-methylpiperidin-4-yl)-benzamide(957855-87-7)
• EPA Substance Registry System: (R)-4-((8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)-3-ethoxy-N-(1-methylpiperidin-4-yl)-benzamide(957855-87-7)

Safety Data

• Hazardous Substances Data: 957855-87-7(Hazardous Substances Data)

Upstream product

• 755039-54-4 (R)-2-chloro-8-cyclopentyl-7-ethyl-7,8-dihydropteridin-6(5H)-one 
• 755039-53-3 (R)-methyl 2-((2-chloro-5-nitropyrimidin-4-yl)(cyclopentyl)-amino)butanoate 
• 755039-52-2 (R)-methyl 2-(cyclopentylamino)butanoate 
• 120-92-3 cyclopentanone 
• 367501-32-4 3-ethoxy-4-nitro-benzoic acid 
• 957855-91-3 3-ethoxy-N-(1-methylpiperidin-4-yl)-4-nitrobenzamide 
• 41838-46-4 4-Amino-1-methylpiperidine 
• 755039-55-5 (R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one 
• 946826-31-9 4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)benzamide 

Relevant articles and documents

Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity

Concomitant inhibition of anaplastic lymphoma kinase (ALK) and bromodomain-4 (BRD4) is a potential therapeutic strategy for targeting two key oncogenic drivers that co-segregate in a significant fraction of high-risk neuroblastoma patients, mutation of ALK and amplification of MYCN. Starting from known dual polo-like kinase (PLK)-1-BRD4 inhibitor BI-2536, we employed structure-based design to redesign this series toward compounds with a dual ALK-BRD4 profile. These efforts led to compound (R)-2-((2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl)amino)-7-ethyl-5-methyl-8-((4-methylthiophen-2-yl)methyl)-7,8-dihydropteridin-6(5H)-one (16k) demonstrating improved ALK activity and significantly reduced PLK-1 activity, while maintaining BRD4 activity and overall kinome selectivity. We demonstrate the compounds' on-target engagement with ALK and BRD4 in cells as well as favorable broad kinase and bromodomain selectivity.