Analogues of DNA minor groove cross-linking agents incorporating aminoCBI, an amino derivative of the duocarmycins: Synthesis, cytotoxicity, and potential as payloads for antibody-drug conjugates

Bioorg Med Chem. 2016 Nov 15;24(22):6075-6081. doi: 10.1016/j.bmc.2016.09.068. Epub 2016 Sep 30.

Abstract

A Pd-catalysed amination method is used to convert seco-CBI, a synthetic analogue of the alkylating subunit of the duocarmycin natural products, from the phenol to amino form. This allows efficient enantioselective access to the more potent S enantiomer of aminoCBI and its incorporation into analogues of DNA minor groove cross-linking agents. Evaluation in a panel of nine human tumour cell lines shows that the bifunctional agents containing aminoCBI are generally less cytotoxic than their phenolCBI analogues and more susceptible to P-glycoprotein-mediated resistance. However, all bifunctional agents are potent cytotoxins, some in the sub-pM IC50 range, with in vitro properties that compare favourably with established microtubule-targeted ADC payloads.

Keywords: AminoCBI; Antibody–drug conjugate; DNA cross-linking agent; Duocarmycin; Pyrrolobenzodiazepine.

MeSH terms

  • Antibodies / chemistry
  • Antibodies / pharmacology*
  • Antineoplastic Agents / chemical synthesis
  • Antineoplastic Agents / chemistry
  • Antineoplastic Agents / pharmacology*
  • Cell Cycle Checkpoints / drug effects
  • Cell Line, Tumor
  • Cell Proliferation / drug effects
  • Cross-Linking Reagents / chemical synthesis
  • Cross-Linking Reagents / chemistry
  • Cross-Linking Reagents / pharmacology*
  • Dose-Response Relationship, Drug
  • Drug Screening Assays, Antitumor
  • Duocarmycins
  • Humans
  • Indoles / chemistry
  • Indoles / pharmacology*
  • Molecular Structure
  • Pyrrolidinones / chemistry
  • Pyrrolidinones / pharmacology
  • Structure-Activity Relationship

Substances

  • Antibodies
  • Antineoplastic Agents
  • Cross-Linking Reagents
  • Duocarmycins
  • Indoles
  • Pyrrolidinones
  • duocarmycin A