2-(2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-pyrrol-1-ylanilino)-N,N-diethylacetamide | 1093657-06-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-(2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-pyrrol-1-ylanilino)-N,N-diethylacetamide
• CAS: 1093657-06-7
• 化学式: C₂₄H₂₈ClN₃O₅S
• 分子量: 506.022
• InChiKey: BYDRJTSSNUDNDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  89.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(2-chloro-5-(1H-pyrrol-1-yl)phenyl)-3,4-dimethoxybenzenesulfonamide 、 N,N-二乙基-2-氯乙酰胺 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-pyrrol-1-ylanilino)-N,N-diethylacetamide
  参考文献：
  名称：

  N-Glycine-sulfonamides as potent dual orexin 1/orexin 2 receptor antagonists

  摘要：

  A series of dual OX(1)R/OX(2)R orexin antagonists was prepared based on a N-glycine-sulfonamide core. SAR studies of a screening hit led to compounds with low nanomolar affinity for both receptors and good oral bioavailability. One of these compounds, 47, has demonstrated in vivo activity in rats following oral administration. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.079

文献信息

• N-Glycine-sulfonamides as potent dual orexin 1/orexin 2 receptor antagonists
  作者：Hamed Aissaoui、Ralf Koberstein、Cornelia Zumbrunn、John Gatfield、Catherine Brisbare-Roch、Francois Jenck、Alexander Treiber、Christoph Boss

  DOI：10.1016/j.bmcl.2008.09.079

  日期：2008.11

  A series of dual OX(1)R/OX(2)R orexin antagonists was prepared based on a N-glycine-sulfonamide core. SAR studies of a screening hit led to compounds with low nanomolar affinity for both receptors and good oral bioavailability. One of these compounds, 47, has demonstrated in vivo activity in rats following oral administration. (C) 2008 Elsevier Ltd. All rights reserved.