• 대한화학회지
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• 제50권4호
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• pp.307-314
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• 2006

2-Ketohydrazono-3-phenyl-5-substituted-2,3-dihydro-1,3,4-thiadiazole과 그 유도체들(1a-h)의 산화환원 특성을 백금 전극의 지지전해질로서 0.1 M tetra n-butylammonium perchlorate (TBAP)을 함유한 1,2-dichloroethane (DCE), dichloromethane (DCM), acetonitrile (AN), tetrahydrofuran (THF), and dimethylsulfoxide (DMSO)와 같은 비수용매 속에서 조사하였다. 조사한 화합물들의 산화 및 환원 생성물들을 조절전위 전해법으로 분리 확인하였으며, 산화환원 메커니즘을 제안하고 이를 증명하였다. 조사한 모든 화합물은 잘 알려진 EC 메커니즘에 이은 두 번의 비가역 일전자 과정에 의해 산화되는 반면, 환원의 경우에는 치환기의 성질에 따라, 잘 알려진 EEC 메커니즘에 이은 한번의 이전자 또는 두 번의 연속적인 일전자 과정에 의해 이루어짐을 알았다.

• 약학회지
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• 제54권5호
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• pp.328-333
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• 2010

Comparative molecular field analyses (CoMFA) on the antiproliferative activity of N-substituted (R) 2-amino-5-(2,4-dihydroxyphenyl)-1,3,4-thiadiazole analogues (ADTs: 1-17) against bladder cancer (HCV29T) and rectal cancer (SW707) cells were studied quantitatively. The statistical predictability and fitness of CoMFA A1 model for bladder cancer cells were better than those of CoMFA F1 model for rectal cancer cells and the antiproliferative activity of ADTs depends on steric field (HCV29T: 93.1% & SW707: 83.8%). Also, from the contour maps of optimized CoMFA models, the activity for bladder cancer cells had predicted to increase when sterically favored groups were substituted on meta- and para-position, and sterically disfavored groups were substituted on one ortho-position of phenyl ring. The activity for rectal cancer cells had predicted to increase when sterically favored groups were substituted on para-position, and sterically disfavored groups were substituted on two ortho-position of phenyl ring as R-group.