1445895-03-3

Basic information

• Product Name: 5-chloro-N₂-(2-isopropoxy-5-methyl-4-(1-ethylpiperidin-4-yl)phenyl)-N₄-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine
• Synonyms: 5-chloro-N₂-(2-isopropoxy-5-methyl-4-(1-ethylpiperidin-4-yl)phenyl)-N₄-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine
• CAS NO: 1445895-03-3
• Molecular Weight: 586.198
• Mol File: 1445895-03-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 5-chloro-N₂-(2-isopropoxy-5-methyl-4-(1-ethylpiperidin-4-yl)phenyl)-N₄-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine(CAS DataBase Reference)
• NIST Chemistry Reference: 5-chloro-N₂-(2-isopropoxy-5-methyl-4-(1-ethylpiperidin-4-yl)phenyl)-N₄-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine(1445895-03-3)
• EPA Substance Registry System: 5-chloro-N₂-(2-isopropoxy-5-methyl-4-(1-ethylpiperidin-4-yl)phenyl)-N₄-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine(1445895-03-3)

Safety Data

• Hazardous Substances Data: 1445895-03-3(Hazardous Substances Data)

Upstream product

• 1032903-64-2 4-(4-{5-chloro-4-[2-(propane-2-sulfonyl)phenylamino]pyrimidin-2-ylamino}-5-isopropoxy-2-methylphenyl)piperidine-1-carboxylic acid tert-butyl ester 
• 1035230-24-0 5-chloro-N²-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N⁴-((2-isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine 
• 761440-16-8 2-chloro-N-(2-(isopropylsulfonyl)phenyl)-5-methyl-pyrimidin-4-amine 
• 452-73-3 2-chloro-4-fluorotoluene 
• 76697-50-2 1-amino-2-(isopropylsulphonyl)benzene 
• 1032903-63-1 4-(4-amino-5-isopropoxy-2-methylphenyl)-piperidine-1-carboxylic acid tert-butyl ester 
• 1032903-62-0 4-[2-methyl-4-nitro-5-(propan-2-yloxy)phenyl]pyridine 
• 1032903-50-6 1-chloro-2-methyl-4-nitro-5-(propan-2-yloxy)benzene 
• 112108-73-3 1-chloro-5-fluoro-2-methyl-4-nitrobenzene 
• 1380575-43-8 5-chloro-N²-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N⁴-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine hydrochloride 
• 75-03-6 ethyl iodide 

Relevant articles and documents

Synthesis, structure-activity relationships, and in vivo efficacy of the novel potent and selective anaplastic lymphoma kinase (ALK) inhibitor 5-chloro- N 2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)- N 4-(2-(isopropylsulfonyl) phenyl)pyrimidine-2,4-diamine (LDK378) currently in phase 1 and phase 2 clinical trials

The synthesis, preclinical profile, and in vivo efficacy in rat xenograft models of the novel and selective anaplastic lymphoma kinase inhibitor 15b (LDK378) are described. In this initial report, preliminary structure-activity relationships (SARs) are described as well as the rational design strategy employed to overcome the development deficiencies of the first generation ALK inhibitor 4 (TAE684). Compound 15b is currently in phase 1 and phase 2 clinical trials with substantial antitumor activity being observed in ALK-positive cancer patients.