Discovery of ((4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5-methylpyrrolo[1,2-f][1,2,4]triazine-6-carbonyl)(propyl)carbamoyloxy)methyl-2-(4-(phosphonooxy)phenyl)acetate (BMS-751324), a Clinical Prodrug of p38α MAP Kinase Inhibitor

J Med Chem. 2015 Oct 8;58(19):7775-84. doi: 10.1021/acs.jmedchem.5b00839. Epub 2015 Sep 22.

Abstract

In search for prodrugs to address the issue of pH-dependent solubility and exposure associated with 1 (BMS-582949), a previously disclosed phase II clinical p38α MAP kinase inhibitor, a structurally novel clinical prodrug, 2 (BMS-751324), featuring a carbamoylmethylene linked promoiety containing hydroxyphenyl acetic acid (HPA) derived ester and phosphate functionalities, was identified. Prodrug 2 was not only stable but also water-soluble under both acidic and neutral conditions. It was effectively bioconverted into parent drug 1 in vivo by alkaline phosphatase and esterase in a stepwise manner, providing higher exposure of 1 compared to its direct administration, especially within higher dose ranges. In a rat LPS-induced TNFα pharmacodynamic model and a rat adjuvant arthritis model, 2 demonstrated similar efficacy to 1. Most importantly, it was shown in clinical studies that prodrug 2 was indeed effective in addressing the pH-dependent absorption issue associated with 1.

MeSH terms

  • Administration, Oral
  • Animals
  • Arthritis, Experimental / drug therapy
  • Biological Availability
  • Chemistry Techniques, Synthetic
  • Dose-Response Relationship, Drug
  • Drug Evaluation, Preclinical / methods
  • Macaca fascicularis
  • Male
  • Mitogen-Activated Protein Kinase 14 / antagonists & inhibitors
  • Molecular Structure
  • Organophosphates / chemistry
  • Organophosphates / pharmacology*
  • Phenylacetates / chemistry
  • Phenylacetates / pharmacology*
  • Prodrugs / chemistry*
  • Prodrugs / pharmacokinetics
  • Prodrugs / pharmacology*
  • Protein Kinase Inhibitors / chemistry
  • Protein Kinase Inhibitors / pharmacology*
  • Rats, Inbred Lew
  • Rats, Sprague-Dawley
  • Solubility
  • Structure-Activity Relationship

Substances

  • ((4-(5-(cyclopropylcarbamoyl)-2-methylphenylamino)-5-methylpyrrolo(1,2-f)(1,2,4)triazine-6-carbonyl)(propyl)carbamoyloxy)methyl-2-(4-(phosphonooxy)phenyl)acetate
  • Organophosphates
  • Phenylacetates
  • Prodrugs
  • Protein Kinase Inhibitors
  • Mitogen-Activated Protein Kinase 14