| 866350-25-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• CAS: 866350-25-6
• 化学式: C₁₇H₁₄N₄O₃S
• 分子量: 354.389
• InChiKey: MBZZLGODMUWKOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.38
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  97.45
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 三乙胺 、 三氯氧磷 作用下， 生成
  参考文献：
  名称：

  Solution Phase Parallel Synthesis of Substituted 3-Phenylsulfonyl-[1,2,3]triazolo[1,5-a]quinazolines: Selective Serotonin 5-HT₆ Receptor Antagonists

  摘要：

  Here we present the solution phase parallel synthesis of a combinatorial library consisting of 776 new substituted 3-phenylsulfonyl-[1,2,3]triazolo[1,5-a]quinazolines and a study of the relation of their structure with a 5-HT6 receptor antagonistic activity in a functional cell (HEK 293) analysis and radioligand competitive binding. We have found highly active and selective 5-HT6R antagonists. The most active 5-HT6R antagonists have IC50 < 100 nM in a functional assay, and K-i < 10 nM in a binding assay, which is 100 times higher than the activity with respect to other serotonin receptors.

  DOI：

  10.1021/cc1000049
• 作为产物：
  描述：

  [(4-乙基苯基)磺酰基]-乙腈 、 甲基2-叠氮基苯甲酸酯 在 sodium 作用下， 以 乙醇 为溶剂， 反应 20.33h， 生成
  参考文献：
  名称：

  Solution Phase Parallel Synthesis of Substituted 3-Phenylsulfonyl-[1,2,3]triazolo[1,5-a]quinazolines: Selective Serotonin 5-HT₆ Receptor Antagonists

  摘要：

  Here we present the solution phase parallel synthesis of a combinatorial library consisting of 776 new substituted 3-phenylsulfonyl-[1,2,3]triazolo[1,5-a]quinazolines and a study of the relation of their structure with a 5-HT6 receptor antagonistic activity in a functional cell (HEK 293) analysis and radioligand competitive binding. We have found highly active and selective 5-HT6R antagonists. The most active 5-HT6R antagonists have IC50 < 100 nM in a functional assay, and K-i < 10 nM in a binding assay, which is 100 times higher than the activity with respect to other serotonin receptors.

  DOI：

  10.1021/cc1000049

文献信息

• Solution Phase Parallel Synthesis of Substituted 3-Phenylsulfonyl-[1,2,3]triazolo[1,5-<i>a</i>]quinazolines: Selective Serotonin 5-HT₆ Receptor Antagonists
  作者：Alexandre V. Ivachtchenko、Elena S. Golovina、Madina G. Kadieva、Angela G. Koryakova、Sergiy M. Kovalenko、Oleg D. Mitkin、Ilya M. Okun、Irina M. Ravnyeyko、Sergey E. Tkachenko、Oleg V. Zaremba

  DOI：10.1021/cc1000049

  日期：2010.7.12

  Here we present the solution phase parallel synthesis of a combinatorial library consisting of 776 new substituted 3-phenylsulfonyl-[1,2,3]triazolo[1,5-a]quinazolines and a study of the relation of their structure with a 5-HT6 receptor antagonistic activity in a functional cell (HEK 293) analysis and radioligand competitive binding. We have found highly active and selective 5-HT6R antagonists. The most active 5-HT6R antagonists have IC50 < 100 nM in a functional assay, and K-i < 10 nM in a binding assay, which is 100 times higher than the activity with respect to other serotonin receptors.