Crystal structures of 3-methyl-1, 2, 4-benzotriazine 1-oxide and 2-oxide

…, U Sarkar, CL Barnes, PK Thallapally, KS Gates

Index: Junnotula, Venkatraman; Sarkar, Ujjal; Barnes, Charles L.; Thallapally, Praveen K.; Gates, Kent S. Journal of Chemical Crystallography, 2006 , vol. 36, # 9 p. 557 - 561

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Abstract

The compound 3-methyl 1, 2, 4-benzotriazine 1, 4-dioxide (1) belongs to a new class of clinically promising, bioreductively-activated antitumor drugs. Reductive metabolism of these triazine di-N-oxides typically produces mixtures of mono-N-oxide analogues. As part of our efforts toward characterization of the in vitro metabolism of 1, we synthesized the 1-oxide (2) and 2-oxide (3) analogues and characterized these compounds using X-ray ...