4-Chloro-1-heptan-4-yl-3-(2-methoxyethenyl)-6-methylpyrrolo[3,2-c]pyridine | 476645-25-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 4-Chloro-1-heptan-4-yl-3-(2-methoxyethenyl)-6-methylpyrrolo[3,2-c]pyridine
• 英文别名: 4-chloro-1-heptan-4-yl-3-(2-methoxyethenyl)-6-methylpyrrolo[3,2-c]pyridine
• CAS: 476645-25-7
• 化学式: C₁₈H₂₅ClN₂O
• 分子量: 320.862
• InChiKey: AFCLYRMPROAVQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Chloro-1-heptan-4-yl-3-(2-methoxyethenyl)-6-methylpyrrolo[3,2-c]pyridine 在 tris(dibenzylideneacetone)dipalladium (0) 咪唑 、 盐酸 、 4-二甲氨基吡啶 、 sodium tetrahydroborate 、 potassium phosphate 、 2-二环己基磷-2'-甲基联苯 作用下， 以 甲醇 、 乙二醇二甲醚 、 N,N-二甲基甲酰胺 为溶剂， 100.0 ℃ 、413.7 kPa 条件下， 反应 2.83h， 生成 3-(2-((tert-butyldimethylsilyl)oxy)ethyl)-N-(3-fluoro-4-methoxyphenyl)-1-(heptan-4-yl)-6-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine
  参考文献：
  名称：

  Novel substituted tetrahydrotriazaacenaphthylene derivatives as potent CRF1 receptor antagonists

  摘要：

  Corticotropin-releasing factor (CRF), a 41 amino acid peptide neurohormone synthesised by specific hypothalamic nuclei in the brain, is implicated in stress-related function. Antagonism of CRF1 receptors is an attractive therapeutic approach for the treatment of depression and anxiety. Unsaturated tetrahydrotriazaacenaphthylenes of general structure 3 have been identified as potent and selective CRF1 receptor antagonists with a suitable oral pharmacokinetic profile. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.077
• 作为产物：
  描述：

  4-溴庚烷 在 正丁基锂 、 sodium hydride 、 三氯氧磷 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 生成 4-Chloro-1-heptan-4-yl-3-(2-methoxyethenyl)-6-methylpyrrolo[3,2-c]pyridine
  参考文献：
  名称：

  Novel substituted tetrahydrotriazaacenaphthylene derivatives as potent CRF1 receptor antagonists

  摘要：

  Corticotropin-releasing factor (CRF), a 41 amino acid peptide neurohormone synthesised by specific hypothalamic nuclei in the brain, is implicated in stress-related function. Antagonism of CRF1 receptors is an attractive therapeutic approach for the treatment of depression and anxiety. Unsaturated tetrahydrotriazaacenaphthylenes of general structure 3 have been identified as potent and selective CRF1 receptor antagonists with a suitable oral pharmacokinetic profile. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.077

文献信息

• Novel substituted tetrahydrotriazaacenaphthylene derivatives as potent CRF1 receptor antagonists
  作者：Gabriella Gentile、Romano Di Fabio、Francesca Pavone、Fabio Maria Sabbatini、Yves St-Denis、Maria Grazia Zampori、Giovanni Vitulli、Angela Worby

  DOI：10.1016/j.bmcl.2007.06.077

  日期：2007.9

  Corticotropin-releasing factor (CRF), a 41 amino acid peptide neurohormone synthesised by specific hypothalamic nuclei in the brain, is implicated in stress-related function. Antagonism of CRF1 receptors is an attractive therapeutic approach for the treatment of depression and anxiety. Unsaturated tetrahydrotriazaacenaphthylenes of general structure 3 have been identified as potent and selective CRF1 receptor antagonists with a suitable oral pharmacokinetic profile. (c) 2007 Elsevier Ltd. All rights reserved.