Parallel Solution Phase Synthesis and Preliminary Biological Activity of a 5'-Substituted Cytidine Analog Library

ACS Comb Sci. 2019 Sep 9;21(9):628-634. doi: 10.1021/acscombsci.9b00072. Epub 2019 Aug 19.

Abstract

A 109-membered library of 5'-substituted cytidine analogs was synthesized, via funding through the NIH Roadmap Initiative and the Pilot Scale Library (PSL) Program. Reaction core compounds contained -NH2 (2) and -COOH (44 and 93) groups that were coupled to a diversity of reactants in a parallel, solution phase format to produce the target library. The assorted reactants included -NH2, -CHO, -SO2Cl, and -COOH functional groups, and condensation with the intermediate core materials 2 and 44 followed by acidic hydrolysis produced 3-91 in good yields and high purity. Linkage of the amino terminus of d-phenylalanine methyl ester to the free 5'-COOH of 44 and NaOH treatment led to core library -COOH precursor 93. In a libraries from libraries approach, compound 93 served as the vital building block for our unique library of dipeptidyl cytidine analogs 94-114 through amide coupling of the -COOH group with numerous commercial amines followed by acidic deprotection. Initial screening of the complete final library through the MLPCN program revealed a modest number of hits over diverse biological processes. These hits might be considered as starting points for hit-to-lead optimization and development studies.

Keywords: biological activities; cytidine nucleoside analogs; diversity libraries; solution phase.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amines / chemistry
  • Carboxylic Acids / chemistry
  • Cytidine / analogs & derivatives
  • Cytidine / chemical synthesis*
  • Hydrolysis
  • Molecular Structure
  • Phenylalanine / analogs & derivatives
  • Phenylalanine / chemistry
  • Small Molecule Libraries / chemical synthesis*
  • Structure-Activity Relationship

Substances

  • Amines
  • Carboxylic Acids
  • Small Molecule Libraries
  • phenylalanine methyl ester
  • Phenylalanine
  • Cytidine