Inhibitors of blood platelet cAMP phosphodiesterase. 4. Structural variation of the side-chain terminus of water-soluble 1,3-dihydro-2H-imidazo[4,5-b]quinolin-2-one derivatives

J Med Chem. 1993 Oct 29;36(22):3251-64. doi: 10.1021/jm00074a005.

Abstract

1-(Cyclohexylmethyl)-4-[4-[(2,3-dihydro-2-oxo-1H-imidazo[4,5-b] quinolin-7-yl)oxy]-1-oxobutyl]piperazine (2) was previously identified as a potent, water-soluble inhibitor of human blood platelet cAMP phosphodiesterase and of induced aggregation in vitro that demonstrated effective antithrombotic activity in animal models of thrombosis. Although 2 exhibited 25% oral bioavailability in rats, pharmacokinetic studies conducted in monkeys revealed that the parent compound was less than 5% bioavailable, the result of extensive first-pass biotransformation in the liver. In an effort to identify potent platelet aggregation inhibitors with enhanced metabolic stability, the side-chain amide moiety of 2 was replaced with chemically more stable urea (6a-s), sulfonamide (13a-m), sulfone (19a-r), and tetrazole (23a-s) moieties. Many representatives from each of these structural types effectively combined potent inhibition of ADP-induced human platelet aggregation in vitro with excellent aqueous solubility, and several are superior to 2. Within each series, the N-(cyclohexylmethyl)-, N-(2-ethylbutyl)-, N-benzyl-, and N-(4-fluorobenzyl)-substituted derivatives were evaluated for in vitro metabolic stability by incubating with the S-9 fraction of monkey liver for 2 h, and the extent of biotransformation was compared with that of the prototype 2. The sulfone 19e and the tetrazoles 23e, 23g, 23j, and 23q were significantly more stable than 2 under these conditions, and 19e and 23e were selected for evaluation in vivo. Tetrazole 23e exhibited 72% bioavailability following ip administration to rats compared with 35% bioavailability for 2 and 19e under the same conditions. However, the oral bioavailability of 19e and 23e in the rat was estimated to be only 3%, suggesting that 19e and 23e are less readily absorbed from the gastrointestinal tract than 2.

Publication types

  • Comparative Study

MeSH terms

  • 3',5'-Cyclic-AMP Phosphodiesterases / antagonists & inhibitors*
  • 3',5'-Cyclic-AMP Phosphodiesterases / blood
  • Adenosine Diphosphate / pharmacology
  • Animals
  • Blood Platelets / drug effects
  • Blood Platelets / enzymology*
  • Chlorocebus aethiops
  • Imidazoles / chemical synthesis*
  • Imidazoles / pharmacology*
  • Platelet Aggregation Inhibitors / chemical synthesis*
  • Quinolones / chemical synthesis*
  • Quinolones / pharmacology*
  • Rats
  • Solubility
  • Structure-Activity Relationship
  • Sulfonamides / chemical synthesis
  • Sulfonamides / pharmacology
  • Sulfones / chemical synthesis
  • Sulfones / pharmacology
  • Tetrazoles / chemical synthesis
  • Tetrazoles / pharmacology
  • Urea / analogs & derivatives
  • Urea / chemical synthesis
  • Urea / pharmacology
  • Water

Substances

  • Imidazoles
  • Platelet Aggregation Inhibitors
  • Quinolones
  • Sulfonamides
  • Sulfones
  • Tetrazoles
  • Water
  • Adenosine Diphosphate
  • Urea
  • 3',5'-Cyclic-AMP Phosphodiesterases