Potential anticancer agents. XX. 1. Steric fit analysis in aromatic nitrogen mustards area.
A series of 31 aromatic nitrogen mustards was treated by means of the Minimal Tropological Difference (MTD)-receptor site mapping procedure by respect to toxicity (LD50) and efficacy (TGI%) against Jensen sarcoma. The correlation equations obtained for the two cases are: (Formula: see text), The low correlation coefficients indicate a not too high dependence upon steric factors of TGI% and LD50. However  these results suggested that: a) the ortho-substitution represents a favorable event for both toxicity and antitumor effectiveness (j = 1 and 18 being good vertices in both corresponding hypermolecules), b) despite this effect, the steric features involved in these two biologic parameters seems to be different.
D000818:Animals; D000970:Antineoplastic Agents / Q000378:metabolism / Q000494:pharmacology*; D001665:Binding Sites; D009374:Neoplasms, Experimental / Q000188:drug therapy*; D009588:Nitrogen Mustard Compounds / Q000494:pharmacology*; D051381:Rats; D013329:Structure-Activity Relationship
D000970:Antineoplastic Agents; D009588:Nitrogen Mustard Compounds