884651-24-5

Basic information

• Product Name: Phosphoric acid dibenzyl ester 3-[(S)-4-(2,5-difluoro-phenyl)-1-((S)-2-hydroxy-3,3-dimethyl-butyryl)-2,5-dihydro-1H-pyrrol-2-yl]-phenyl ester
• Synonyms: Phosphoric acid dibenzyl ester 3-[(S)-4-(2,5-difluoro-phenyl)-1-((S)-2-hydroxy-3,3-dimethyl-butyryl)-2,5-dihydro-1H-pyrrol-2-yl]-phenyl ester
• CAS NO: 884651-24-5
• Molecular Weight: 647.656
• Mol File: 884651-24-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Phosphoric acid dibenzyl ester 3-[(S)-4-(2,5-difluoro-phenyl)-1-((S)-2-hydroxy-3,3-dimethyl-butyryl)-2,5-dihydro-1H-pyrrol-2-yl]-phenyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Phosphoric acid dibenzyl ester 3-[(S)-4-(2,5-difluoro-phenyl)-1-((S)-2-hydroxy-3,3-dimethyl-butyryl)-2,5-dihydro-1H-pyrrol-2-yl]-phenyl ester(884651-24-5)
• EPA Substance Registry System: Phosphoric acid dibenzyl ester 3-[(S)-4-(2,5-difluoro-phenyl)-1-((S)-2-hydroxy-3,3-dimethyl-butyryl)-2,5-dihydro-1H-pyrrol-2-yl]-phenyl ester(884651-24-5)

Safety Data

• Hazardous Substances Data: 884651-24-5(Hazardous Substances Data)

Upstream product

• 639074-95-6 3-{(2S)-4-(2,5-difluorophenyl)-1-[(2S)-2-hydroxy-3,3-dimethylbutanoyl]-2,5-dihydro-1H-pyrrol-2-yl}phenol 
• 17176-77-1 Dibenzyl phosphite 
• 133910-12-0 (1,1-dimethylethyl)(3-iodophenoxy)dimethylsilane 
• 21641-92-9 (S)-2-hydroxy-3,3-dimethylbutanoic acid 
• 884651-21-2 2-[3-(tert-butyl-dimethyl-silanyloxy)-phenyl]-4-(2,5-difluoro-phenyl)-2,5-dihydro-pyrrole-1-carboxylic acid tert-butyl ester 
• 884651-22-3 2-[3-(tert-butyl-dimethyl-silanyloxy)-phenyl]-4-(2,5-difluoro-phenyl)-2,5-dihydro-1H-pyrrole 
• 635724-41-3 tert-butyl 3-(2,5-difluorophenyl)-2,3-dihydro-1H-pyrrole-1-carboxylate 

Relevant articles and documents

Kinesin spindle protein (KSP) inhibitors. Part 3: Synthesis and evaluation of phenolic 2,4-diaryl-2,5-dihydropyrroles with reduced hERG binding and employment of a phosphate prodrug strategy for aqueous solubility

2,4-Diaryl-2,5-dihydropyrroles have been discovered to be novel, potent and water-soluble inhibitors of KSP, an emerging therapeutic target for the treatment of cancer. A potential concern for these basic KSP inhibitors (1 and 2) was hERG binding that can be minimized by incorporation of a potency-enhancing C2 phenol combined with neutral N1 side chains. Aqueous solubility was restored to these, and other, non-basic inhibitors, through a phosphate prodrug strategy.