Novel pyrone side tetracyclic psoralen derivatives: synthesis and photobiological evaluation

J Med Chem. 2003 Aug 28;46(18):3800-10. doi: 10.1021/jm0210919.

Abstract

This study reports the synthesis of tetrahydrobenzo- (4-6) and benzopsoralen (7-9) derivatives obtained by condensing the fourth ring to the pyrone side of the tricyclic psoralen moiety. The new compounds are characterized by having a methoxy, a hydroxy, or a dimethylaminopropoxy side chain inserted at position 8 of the psoralen chromophore. The evaluation of the photoantiproliferative activity on human tumor cell lines along with skin phototoxicity on guinea pigs revealed an interesting photobiological pattern for the dimethylaminopropoxy derivatives 6 and 9: they are in fact able to exert an antiproliferative effect up to 1 order of magnitude higher than that of the well-known drug 8-MOP, but they are devoid of skin phototoxicity. The ability of both 6 and 9 to photoadd to DNA is demonstrated by the isolation and characterization of the 4',5'-monoadducts. AM1 calculations were also performed to gain further insight into the molecular basis of their photobiological behavior.

MeSH terms

  • Animals
  • Antineoplastic Agents / chemical synthesis*
  • Antineoplastic Agents / chemistry
  • Antineoplastic Agents / pharmacology
  • Circular Dichroism
  • Coumarins / chemical synthesis*
  • Coumarins / chemistry
  • Coumarins / pharmacology
  • Cross-Linking Reagents / chemical synthesis
  • Cross-Linking Reagents / chemistry
  • Cyclohexanes / chemical synthesis*
  • Cyclohexanes / chemistry
  • Cyclohexanes / pharmacology
  • Cyclohexenes
  • DNA Adducts / chemical synthesis
  • Drug Screening Assays, Antitumor
  • Furans / chemical synthesis*
  • Furans / chemistry
  • Furans / pharmacology
  • Furocoumarins / chemical synthesis*
  • Furocoumarins / chemistry
  • Furocoumarins / pharmacology
  • Guinea Pigs
  • Humans
  • Intercalating Agents / chemical synthesis
  • Intercalating Agents / chemistry
  • Magnetic Resonance Spectroscopy
  • Mass Spectrometry
  • Models, Molecular
  • PUVA Therapy
  • Pyrones / chemical synthesis*
  • Pyrones / chemistry
  • Pyrones / pharmacology
  • Skin / drug effects
  • Skin / radiation effects
  • Structure-Activity Relationship
  • Tumor Cells, Cultured
  • Ultraviolet Rays

Substances

  • 3,4-cyclohexene-8-(3-dimethylaminopropoxy)-4'-methylfuro(3,2-g)coumarin
  • 3,4-cyclohexene-8-hydroxy-4'-methylfuro(3,2-g)coumarin
  • Antineoplastic Agents
  • Coumarins
  • Cross-Linking Reagents
  • Cyclohexanes
  • Cyclohexenes
  • DNA Adducts
  • Furans
  • Furocoumarins
  • Intercalating Agents
  • Pyrones