1393724-13-4

Basic information

• Product Name: (S)-3-(2-((4,5-dimethoxy-2-nitrobenzyloxy)carbonylamino)-3-(4-((1-methyl-1H-imidazol-5-yl)ethynyl)phenyl)propanamido)propanoic acid
• CAS NO: 1393724-13-4
• Molecular Weight: 579.566
• Mol File: 1393724-13-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (S)-3-(2-((4,5-dimethoxy-2-nitrobenzyloxy)carbonylamino)-3-(4-((1-methyl-1H-imidazol-5-yl)ethynyl)phenyl)propanamido)propanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-3-(2-((4,5-dimethoxy-2-nitrobenzyloxy)carbonylamino)-3-(4-((1-methyl-1H-imidazol-5-yl)ethynyl)phenyl)propanamido)propanoic acid(1393724-13-4)
• EPA Substance Registry System: (S)-3-(2-((4,5-dimethoxy-2-nitrobenzyloxy)carbonylamino)-3-(4-((1-methyl-1H-imidazol-5-yl)ethynyl)phenyl)propanamido)propanoic acid(1393724-13-4)

Safety Data

• Hazardous Substances Data: 1393724-13-4(Hazardous Substances Data)

Upstream product

• 1991-81-7 4-iodo-L-phenylalanine 
• 42855-00-5 nitroveratryloxycarbonyl chloride 
• 1393723-61-9 NVOC-p-I-L-Phe-OH 
• 71759-92-7 5-ethynyl-1-methyl-1H-imidazole 

Relevant articles and documents

Discovery of small-molecule interleukin-2 inhibitors from a DNA-encoded chemical library

Libraries of chemical compounds individually coupled to encoding DNA tags (DNA-encoded chemical libraries) hold promise to facilitate exceptionally efficient ligand discovery. We constructed a high-quality DNAencoded chemical library comprising 30 000 drug-like compounds; this was screened in 170 different affinity capture experiments. High-throughput sequencing allowed the evaluation of 120 million DNA codes for a systematic analysis of selection strategies and statistically robust identification of binding molecules. Selections performed against the tumor-associated antigen carbonic anhydrase IX (CA IX) and the pro-inflammatory cytokine interleukin-2 (IL-2) yielded potent inhibitors with exquisite target specificity. The binding mode of the revealed pharmacophore against IL-2 was confirmed by molecular docking. Our findings suggest that DNA-encoded chemical libraries allow the facile identification of drug-like ligands principally to any protein of choice, including molecules capable of disrupting high-affinity protein-protein interactions.