The one-pot synthesis of butyl-1H-indol-3-alkylcarboxylic acid derivatives in ionic liquid as potent dual-acting agent for management of BPH

Eur J Med Chem. 2020 Nov 1:205:112616. doi: 10.1016/j.ejmech.2020.112616. Epub 2020 Jul 19.

Abstract

Based on the SAR of both α1-AR antagonists and 5α-reductase (5AR) inhibitors, the dual-acting agent 4-(1-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-1H-indol-3-yl)butanoic acid 4aaa was designed against BPH and synthesized by two steps of N-alkylation. One-pot protocol towards 4aaa was newly developed. With IL [C6min]Br as solvent, the yield of 4aaa was increased to 75.1% from 16.0% and the reaction time was shortened in 1.5 h from 48 h. 25 derivatives structurally based on arylpiperazine and indolyl butyric acid with alkyl linker were prepared. The protocol was futher extended to get another 14 derivatives wherein O-alkylation was involved, and applied to the synthesis of biologically efficient molecules DPQ and Aripiprazole. Expectedly, compound 4aaa exhibited dual inhibition of α1-AR and 5α-reductase, and exhibited no obvious cytotoxicity against human cells. The pharmacokinetic properties of 4aaa was also determined.

Keywords: 5α-reductase inhibitors; BPH; Dual-acting; Ionic liquids; α(1)-AR antagonists.

MeSH terms

  • Androgen Receptor Antagonists / chemical synthesis
  • Androgen Receptor Antagonists / chemistry
  • Androgen Receptor Antagonists / pharmacology
  • Androgen Receptor Antagonists / therapeutic use
  • Butyric Acid / chemistry
  • Carboxylic Acids / chemical synthesis*
  • Carboxylic Acids / chemistry
  • Carboxylic Acids / pharmacology*
  • Carboxylic Acids / therapeutic use
  • Chemistry Techniques, Synthetic
  • Humans
  • Ionic Liquids / chemistry*
  • Male
  • Prostatic Hyperplasia / drug therapy*
  • Receptors, Androgen / metabolism

Substances

  • Androgen Receptor Antagonists
  • Carboxylic Acids
  • Ionic Liquids
  • Receptors, Androgen
  • Butyric Acid