Intramolecular nonbonded S•••O interaction recognized in (acylimino)thiadiazoline derivatives as angiotensin II receptor antagonists and related compounds
Intramolecular nonbonded S•••O interaction recognized in (acylimino)thiadiazoline derivatives as angiotensin II receptor antagonists and related compounds
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DOI：
10.1021/ja973109o
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发表时间：
1998-04-08
影响因子：
15
通讯作者：
Shiro, M
中科院分区：
文献类型：
--
作者：
Nagao, Y;Hirata, T;Shiro, M
分子内非键合的1，5-型S…在作为血管紧张素II受体拮抗剂的（酰基亚氨基）噻二唑啉衍生物（1-3）的晶体结构中识别O相互作用。非键合的1，5-型S…用X射线晶体学分析和从头计算方法（HF/3- 21 G *，6- 31 G *，6 - 311+G**）研究了简化模型化合物（6，7，9）的O相互作用.模拟稠合双环杂环的概念组成的相当稳定的非键S…O相互作用似乎是设计和开发各种药物的有效方法。
The intramolecular nonbonded 1,5-type S ... O interactions are recognized in the crystalline structures of the (acylimino)thiadiazoline derivatives (1-3) as angiotensin II receptor antagonists. The relative stability of the nonbonded 1,5-type S ... O interaction was investigated using the X-ray crystallographic analyses and the ab initio MO calculations (HF/3-21G*, 6-31G*, and 6-311+G**) of the simplified model compounds (6, 7, and 9). The concept of mimic-fused bicyclic heterocycles consisting of fairly stable nonbonded S ... O interaction seems to be an efficient approach toward the design and development of various drugs.