New Mitoguazone Analogues with Anticancer Activity

Autor:	E. Zurek, I. Krezel, E. Mikiciuk‐Olasik, M. L. Glówka
Rok vydání:	1999
Předmět:	Pharmacology Chemistry Binding energy Intermolecular force Pharmaceutical Science Biological activity Tautomer Standard enthalpy of formation Mitoguazone Acetic acid chemistry.chemical_compound Computational chemistry Boiling Organic chemistry
Zdroj:	Pharmacy and Pharmacology Communications. 5:485-490
ISSN:	1460-8081
DOI:	10.1211/146080899128735216
Popis:	A series of amidinohydrazones and amidinohydrazines was obtained from the reaction of 2-formyl- or 4-formylbenzoic acid with appropriate 2-hydrazone or 2-hydrazine derivatives of cyclic 1,3-diamines. Amidinohydrazone derivatives 7–9 underwent intermolecular cyclization to appropriate 1(2H)-phthalazin-1-ones 17–19 in both boiling ethanol and boiling acetic acid. Mitoguazone was used as a leading structure for calculations with geometry optimization. Total and binding energy, heat of formation and some 3D-QSAR parameters of theoretical possible tautomers of the obtained compounds with pharmacological activity were calculated using the semiempirical method PM3 using HyperChem 4.5.
Databáze:	OpenAIRE
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