Structure-activity relationship of aza-steroids as PI-PLC inhibitors

Bioorg Med Chem. 2001 May;9(5):1073-83. doi: 10.1016/s0968-0896(00)00302-3.

Abstract

A number of aza-steroids were synthesized as potent phosphatidylinositol phospholipase C (PI-PLC) inhibitors. The epimeric mixtures 22,25-diazacholesterol (8a) and 3beta-hydroxy-22,25-diazacholestane (8b) were among the most active of these inhibitors, with IC(50) values of 7.4 and 7.5 microM, respectively. The 20alpha epimer, 8a2 (IC(50)=0.64 microM), whose stereochemistry at C-20 coincides with that of cholesterol, was found 50 times more potent than the 20beta epimer, 8a1 (IC(50)=32.2 microM). In diaza-estrone derivatives, the 3-methoxy group on the aromatic A-ring of 23 exhibited moderate PI-PLC inhibitory activity (IC(50)=19.7 microM), while compound with a free hydroxyl group (21) was inactive. However, in diaza-pregnane derivatives, epimers with a 3-hydroxyl group (8a, IC(50)=7.4 microM) exhibited more potent PI-PLC inhibitory activity than their counterparts with 3-methoxyl group on the non-aromatic A-ring (26, IC(50)=17.4 microM). We have illustrated in our previous publication that 3-hydroxyl-6-aza steroids are potent PI-PLC inhibitors.(3) However, simultaneous presence of the 6-aza and 22,25-diaza moieties in one molecule as in 13, led to loss of activity. Epimeric mixture 8a showed selective growth inhibition effects in the NCI in vitro tumor cell screen with a mean GI(50) value (MG-MID) of 5.75 microM for 54 tumors.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Azacosterol / chemical synthesis*
  • Azacosterol / pharmacology*
  • Azasteroids / chemical synthesis*
  • Azasteroids / pharmacology*
  • Cholestanols / chemical synthesis*
  • Cholestanols / pharmacology*
  • Drug Screening Assays, Antitumor / methods
  • Enzyme Inhibitors / chemical synthesis*
  • Enzyme Inhibitors / pharmacology*
  • Humans
  • Inhibitory Concentration 50
  • Phosphatidylinositol Diacylglycerol-Lyase
  • Phosphoinositide Phospholipase C
  • Structure-Activity Relationship
  • Tumor Cells, Cultured / cytology
  • Tumor Cells, Cultured / drug effects
  • Type C Phospholipases / antagonists & inhibitors*
  • Type C Phospholipases / drug effects

Substances

  • Azasteroids
  • Cholestanols
  • Enzyme Inhibitors
  • 22,25-diazacholestanol
  • Type C Phospholipases
  • Phosphoinositide Phospholipase C
  • Phosphatidylinositol Diacylglycerol-Lyase
  • Azacosterol