新型h1受体拮抗剂3-氨基-2-(取代)氨基甲基-5,6-二取代噻吩[2,3-d]嘧啶-4(3H)-的合成与QSAR

Drug design and discovery Pub Date : 1997-08-01
C J Shishoo, V S Shirsath, I S Rathod, S B Brahmbhatt, U S Pathak, K S Jain
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引用次数: 0

摘要

本文报道了新型3-氨基-2-(取代)氨基甲基-5,6-二取代噻吩[2,3-d]嘧啶-4(3H)- 1在豚鼠回肠上的合成及其定量构效关系(QSAR)。IC50值在10(-5)gms/lit范围内,所有化合物对h1受体的亲和力均比苯海拉明和西替利嗪高10倍,但低于阿司咪唑和氯替丁。这些化合物的镇静潜力被发现低于西替利嗪和阿司咪唑,但与氯替丁相当。QSAR研究表明,生物活性主要与空间参数呈抛物线关系,部分与亲脂性参数有关。
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Synthesis and QSAR of some 3-amino-2-(substituted)aminomethyl-5,6-disubstituted thieno[2,3-d]pyrimidin-4(3H)-ones as novel H1-receptor antagonists.

The present study describes the synthesis and quantitative structure activity relationships (QSAR) of novel 3-amino-2-(substituted)aminomethyl-5,6-disubstitutedthieno[2,3-d] pyrimidin-4(3H)-ones for their potent H1-receptor antagonist activity on the guinea pig ileum. With the IC50 values in the range of 10(-5) gms/lit, all the compounds tested were found to possess ten fold higher affinity to the H1-receptor than diphenhydramine and cetirizine, but lower than astemizole and loratidine. The sedative potential of these compounds was found to be lower than cetirizine and astemizole but comparable to loratidine. The QSAR study indicates a parabolic relationship of the biological activity mainly with the steric parameters and partly with the lipophilic parameters.

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