Discovery of 4-Hydroxy-3-(3-(phenylureido)benzenesulfonamides as SLC-0111 Analogues for the Treatment of Hypoxic Tumors Overexpressing Carbonic Anhydrase IX

J Med Chem. 2018 Jul 26;61(14):6328-6338. doi: 10.1021/acs.jmedchem.8b00770. Epub 2018 Jul 17.

Abstract

Herein we report the 2-aminophenol-4-sulfonamide 1 and its ureido derivatives 2-23 as inhibitors of the carbonic anhydrase (CA, EC 4.2.1.1) enzymes as analogues of the hypoxic tumor phase II entering drug SLC-0111. This scaffold may determine preferential rotational isomers to selectively interact within the tumor-associated CAs. Most of the compounds indeed showed in vitro selective inhibition of the tumor associated CA isoforms IX and XII. The most potent derivative within the series was 11 ( KIs of 2.59 and 7.64 nM on hCA IX and XII, respectively), which shares the 4-fluorophenylureido tail with the clinical candidate. We investigated by means of X-ray crystallographic studies the binding modes of three selected compounds of this series to CA I. The evaluation of therapeutic efficacy of compound 11 in an orthotopic, syngeneic model of CA IX-positive breast cancer in vivo showed close matching antitumoral effects and tolerance with SLC-0111.

MeSH terms

  • Carbonic Anhydrase IX / chemistry
  • Carbonic Anhydrase IX / metabolism*
  • Carbonic Anhydrase Inhibitors / chemistry*
  • Carbonic Anhydrase Inhibitors / pharmacology*
  • Catalytic Domain
  • Cell Line, Tumor
  • Drug Design*
  • Gene Expression Regulation, Neoplastic / drug effects
  • Humans
  • Models, Molecular
  • Phenylurea Compounds / chemistry*
  • Phenylurea Compounds / pharmacology*
  • Sulfonamides / chemistry*
  • Sulfonamides / pharmacology*
  • Tumor Hypoxia / drug effects*

Substances

  • Carbonic Anhydrase Inhibitors
  • Phenylurea Compounds
  • SLC-0111
  • Sulfonamides
  • Carbonic Anhydrase IX