1613228-48-0

Basic information

• Product Name: (E)-N-(2-(3-(4-(dimethylamino)but-2-enamido)phenylamino)-pyrimidin-5-yl)-2-methyl-5-(3-(trifluoromethyl)benzamido)-benzamide
• Synonyms: (E)-N-(2-(3-(4-(dimethylamino)but-2-enamido)phenylamino)-pyrimidin-5-yl)-2-methyl-5-(3-(trifluoromethyl)benzamido)-benzamide
• CAS NO: 1613228-48-0
• Molecular Weight: 617.631
• Mol File: 1613228-48-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (E)-N-(2-(3-(4-(dimethylamino)but-2-enamido)phenylamino)-pyrimidin-5-yl)-2-methyl-5-(3-(trifluoromethyl)benzamido)-benzamide(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-N-(2-(3-(4-(dimethylamino)but-2-enamido)phenylamino)-pyrimidin-5-yl)-2-methyl-5-(3-(trifluoromethyl)benzamido)-benzamide(1613228-48-0)
• EPA Substance Registry System: (E)-N-(2-(3-(4-(dimethylamino)but-2-enamido)phenylamino)-pyrimidin-5-yl)-2-methyl-5-(3-(trifluoromethyl)benzamido)-benzamide(1613228-48-0)

Safety Data

• Hazardous Substances Data: 1613228-48-0(Hazardous Substances Data)

Upstream product

• 149586-32-3 (2E)-4-(dimethylamino)but-2-enoic acid 
• 1431727-20-6 N-(2-((3-aminophenyl)amino)pyrimidin-5-yl)-2-methyl-5-(3-(trifluoromethyl)benzamido)benzamide 
• 1431727-39-7 tert-butyl 3-(5-(2-methyl-5-(3-(trifluoromethyl)benzamido)benzamido)pyrimidin-2-ylamino)-phenylcarbamate 
• 1431727-37-5 tert-butyl (3-((5-nitropyrimidin-2-yl)amino)phenyl)carbamate 
• 68621-88-5 (3-aminophenyl)carbamic acid tert-butyl ester 
• 896160-43-3 2-methyl-5-(3-(trifluoromethyl)benzamido)benzoic acid 
• 1431727-38-6 tert-butyl 3-(5-aminopyrimidin-2-ylamino)phenylcarbamate 
• 2251-65-2 3-(Trifluoromethyl)benzoyl chloride 
• 454-92-2 3-(trifluoromethyl)benzoic acid 

Relevant articles and documents

Discovery of a series of 2,5-diaminopyrimidine covalent irreversible inhibitors of Bruton's tyrosine kinase with in vivo antitumor activity

Bruton's tyrosine kinase (Btk) is an attractive drug target for treating several B-cell lineage cancers. Ibrutinib is a first-in-class covalent irreversible Btk inhibitor and has demonstrated impressive effects in multiple clinical trials. Herein, we present a series of novel 2,5-diaminopyrimidine covalent irreversible inhibitors of Btk. Compared with ibrutinib, these inhibitors exhibited a different selectivity profile for the analyzed kinases as well as a dual-action mode of inhibition of both Btk activation and catalytic activity, which counteracts a negative regulation loop for Btk. Two compounds from this series, 31 and 38, showed potent antiproliferative activities toward multiple B-cell lymphoma cell lines, including germinal center B-cell-like diffuse large B cell lymphoma (GCB-DLBCL) cells. In addition, compound 31 significantly prevented tumor growth in a mouse xenograft model.