摘要
本文合成了10个2-羟甲基环戊酮肉桂酸酯类化合物,并选用量子化学参数与取代基疏水参数建立了初步定量构效关系模型,讨论了可能的抑癌机制。
Ten of (2-oxocyclopentanyl) methyl cinnamates were synthesized and computed by uaing CNDO/2 quantum method, The quantum parameters computed were used with partition coefficient in priliminary QSAR analysis of anticancer activity.
出处
《沈阳药科大学学报》
CAS
1987年第4期270-274,共5页
Journal of Shenyang Pharmaceutical University
关键词
量子化学
定量构效关系
抗癌
2-羟甲基环戊酮肉桂酸酯
全略微分重叠
Quantum chemistry
QSAR
Anticancer
(2-oxocyclopentanyl) methyl cinnamate
Complete neglect differential overlap (CNDO)
