3-benzyl-2-(1,3-dioxolan-2-yl)-1-butyl-imidazolium bromide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-benzyl-2-(1,3-dioxolan-2-yl)-1-butyl-imidazolium bromide
• 英文别名: 1-benzyl-3-butyl-2-(1,3-dioxolan-2-yl)imidazol-1-ium;bromide
• 化学式: Br*C₁₇H₂₃N₂O₂
• 分子量: 367.286
• InChiKey: NHSDQXXNJPLLSP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.33
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  27.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-benzyl-2-(1,3-dioxolan-2-yl)-1-butyl-imidazolium bromide 在 六氟磷酸钾 、 氢溴酸 作用下， 以62%的产率得到1-butylimidazo[1,2-b]isoquinolin-4-ium hexafluorophosphate
  参考文献：
  名称：

  Novel NMDA Antagonists: Replacement of the Pyridinium Ring of 6,11-Ethanobenzo[b]quinolizinium Cations with Heteroisoquinolinium Cations

  摘要：

  Replacement of the pyridinium ring of 6,11-ethanobenzo[b]quinolizinium cations with thiazolium (4a and 4b) and N-methylimidazolium (4c and 4d) resulted in equipotent compounds in the [H-3]TCP binding assay. The corresponding N-methyl-1,2,4-triazolium analogs were less potent in this assay. The thiazolium derivative 4b, with a K-i = 2.9 nM, is being evaluated as a possible neuroprotective N-methyl-D-aspartic acid (NMDA) antagonist.

  DOI：

  10.1021/jm00010a028
• 作为产物：
  描述：

  1-丁基咪唑-2-甲醛 在 对甲苯磺酸 作用下， 生成 3-benzyl-2-(1,3-dioxolan-2-yl)-1-butyl-imidazolium bromide
  参考文献：
  名称：

  Novel NMDA Antagonists: Replacement of the Pyridinium Ring of 6,11-Ethanobenzo[b]quinolizinium Cations with Heteroisoquinolinium Cations

  摘要：

  Replacement of the pyridinium ring of 6,11-ethanobenzo[b]quinolizinium cations with thiazolium (4a and 4b) and N-methylimidazolium (4c and 4d) resulted in equipotent compounds in the [H-3]TCP binding assay. The corresponding N-methyl-1,2,4-triazolium analogs were less potent in this assay. The thiazolium derivative 4b, with a K-i = 2.9 nM, is being evaluated as a possible neuroprotective N-methyl-D-aspartic acid (NMDA) antagonist.

  DOI：

  10.1021/jm00010a028

文献信息

• Substituted heterocyclylisoquinolinium salts and compositions and method
  申请人：Sterling Winthrop Inc.

  公开号：US05569655A1

  公开（公告）日：1996-10-29

  Substitutued heterocyclylisoquinolinium salts, pharmaceutical compositions containing them and methods for the treatment or prevention of neurodegenerative disorders or neurotoxic injuries utilizing them.

  取代杂环异喹啉盐，含有它们的药物组合物以及利用它们治疗或预防神经退行性疾病或神经毒性损伤的方法。
• Substituted heterocyclylisoquinolinium salts and compositions and
  申请人：Sterling Winthrop Inc.

  公开号：US05604224A1

  公开（公告）日：1997-02-18

  Substitutued heterocyclylisoquinolinium salts, pharmaceutical compositions containing them and methods for the treatment or prevention of neurodegenerative disorders or neurotoxic injuries utilizing them.

  替代杂环异喹啉盐，含有它们的制药组合物以及利用它们治疗或预防神经退行性疾病或神经毒性损伤的方法。
• Substituted heterocyclylisoquinolinium salts and compositions and methods of usethereof
  申请人：STERLING WINTHROP INC.

  公开号：EP0647641A1

  公开（公告）日：1995-04-12

  Substitutued heterocyclylisoquinolinium salts of Formula pharmaceutical compositions containing them and methods for the treatment or prevention of neurodegenerative disorders or neurotoxic injuries utilizing them.

  式的取代杂环异喹啉盐 含有它们的药物组合物，以及利用它们治疗或预防神经退行性疾病或神经毒性损伤的方法。
• US5604224A
  申请人：——

  公开号：US5604224A

  公开（公告）日：1997-02-18
• US5569655A
  申请人：——

  公开号：US5569655A

  公开（公告）日：1996-10-29