7-(2,6-dimethoxy-4-(methoxymethyl)phenyl)-2-(methylthio)-N-((tetrahydro-2H-pyran-4-yl)methyl)pyrazolo[1,5-a]pyridin-3-amine | 1380434-69-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 7-(2,6-dimethoxy-4-(methoxymethyl)phenyl)-2-(methylthio)-N-((tetrahydro-2H-pyran-4-yl)methyl)pyrazolo[1,5-a]pyridin-3-amine
• 英文别名: 7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methylsulfanyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
• CAS: 1380434-69-4
• 化学式: C₂₄H₃₁N₃O₄S
• 分子量: 457.594
• InChiKey: MJKNKPPDOLTQGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  91.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  7-(2,6-dimethoxy-4-(methoxymethyl)phenyl)-2-(methylthio)-N-((tetrahydro-2H-pyran-4-yl)methyl)pyrazolo[1,5-a]pyridin-3-amine 在 四丁基氟化铵 、 三乙酰氧基硼氢化钠 作用下， 以 四氢呋喃 、 溶剂黄146 为溶剂， 反应 2.0h， 生成 2-((7-(2,6-dimethoxy-4-(methoxymethyl)phenyl)-2-(methylthio)pyrazolo[1,5-a]pyridin-3-yl)((tetrahydro-2H-pyran-4-yl)methyl)amino)ethan-1-ol
  参考文献：
  名称：

  Synthesis and Structure–Activity Relationships of Pyrazolo[1,5-a]pyridine Derivatives: Potent and Orally Active Antagonists of Corticotropin-Releasing Factor 1 Receptor

  摘要：

  Design, synthesis, and structure activity relationships of a series of 3-dialkylamino-7-phenyl pyrazolo[1,5-a]pyridines (I) as selective antagonists of the corticotropin-releasing factor 1 (CRF1) receptor are described. The most prominent compound to emerge from this work, 46 (E2508), exhibits potent in vitro activity, excellent drug-like properties, and robust oral efficacy in animal models of stress-related disorders. It has advanced into clinical trials.

  DOI：

  10.1021/jm300259r
• 作为产物：
  描述：

  tert-butyl (7-(2,6-dimethoxy-4-(methoxymethyl)phenyl)-2-(methylthio)pyrazolo[1,5-a]pyridin-3-yl)carbamate 在 盐酸 、 sodium hydride 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 7-(2,6-dimethoxy-4-(methoxymethyl)phenyl)-2-(methylthio)-N-((tetrahydro-2H-pyran-4-yl)methyl)pyrazolo[1,5-a]pyridin-3-amine
  参考文献：
  名称：

  Synthesis and Structure–Activity Relationships of Pyrazolo[1,5-a]pyridine Derivatives: Potent and Orally Active Antagonists of Corticotropin-Releasing Factor 1 Receptor

  摘要：

  Design, synthesis, and structure activity relationships of a series of 3-dialkylamino-7-phenyl pyrazolo[1,5-a]pyridines (I) as selective antagonists of the corticotropin-releasing factor 1 (CRF1) receptor are described. The most prominent compound to emerge from this work, 46 (E2508), exhibits potent in vitro activity, excellent drug-like properties, and robust oral efficacy in animal models of stress-related disorders. It has advanced into clinical trials.

  DOI：

  10.1021/jm300259r