1675213-59-8

Basic information

• Product Name: C₂₅H₄₀N₂O₄
• Synonyms: C₂₅H₄₀N₂O₄
• CAS NO: 1675213-59-8
• Molecular Weight: 432.604
• Mol File: 1675213-59-8.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: C₂₅H₄₀N₂O₄(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₅H₄₀N₂O₄(1675213-59-8)
• EPA Substance Registry System: C₂₅H₄₀N₂O₄(1675213-59-8)

Safety Data

• Hazardous Substances Data: 1675213-59-8(Hazardous Substances Data)

Upstream product

• 544-63-8 n-tetradecanoic acid 
• 105220-22-2 L-asparagine benzyl ester trifluoroacetate 
• 13512-57-7 N-[(1,1-dimethylethoxycarbonyl)amino]-L-asparagine benzyl ester 
• 70328-12-0 O-benzyl-L-asparagine 
• 112-64-1 tetradecanoyl chloride 

Relevant articles and documents

Erratum: Isolation of a metabolite from the pks island provides insights into colibactin biosynthesis and activity (Organic Letters (2015) 17:6 (1545-1548) DOI: 10.1021/acs.orglett.5b00432)

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Comparative metabolomics and structural characterizations illuminate colibactin pathway-dependent small molecules

The gene cluster responsible for synthesis of the unknown molecule colibactin has been identified in mutualistic and pathogenic Escherichia coli. The pathway endows its producer with a long-term persistence phenotype in the human bowel, a probiotic activity used in the treatment of ulcerative colitis, and a carcinogenic activity under host inflammatory conditions. To date, functional small molecules from this pathway have not been reported. Here we implemented a comparative metabolomics and targeted structural network analyses approach to identify a catalog of small molecules dependent on the colibactin pathway from the meningitis isolate E. coli IHE3034 and the probiotic E. coli Nissle 1917. The structures of 10 pathway-dependent small molecules are proposed based on structural characterizations and network relationships. The network will provide a roadmap for the structural and functional elucidation of a variety of other small molecules encoded by the pathway. From the characterized small molecule set, in vitro bacterial growth inhibitory and mammalian CNS receptor antagonist activities are presented.