9-fluorobenzoquinolizinium perchlorate | 1695-36-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 9-fluorobenzoquinolizinium perchlorate
• 英文别名: 9-fluorobenzo[b]quinolizinium perchlorate；9-Fluoropyrido[1,2-b]isoquinolin-5-ium perchlorate；9-fluorobenzo[b]quinolizin-5-ium;perchlorate
• CAS: 1695-36-9
• 化学式: C₁₃H₉FN*ClO₄
• 分子量: 297.67
• InChiKey: RGRUFDYMGNWQGT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.04
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  环戊二烯 、 9-fluorobenzoquinolizinium perchlorate 以 乙腈 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Synthesis and Evaluation of 6,11-Ethanohexahydrobenzo[b]quinolizidines: A New Class of Noncompetitive N-Methyl-D-aspartate Antagonists

  摘要：

  The synthesis and in vitro and in vivo evaluation of 12,13-cycloalkyl-6,11-ethanobenzo[b]quinolizidines, a new class of noncompetitive N-methyl-D-aspartate (NMDA) antagonists acting at the PCP site on the NMDA receptor complex, is reported. Structure-activity relationship studies led to the identification of 10-hydroxy-(6 alpha,11 alpha,11 alpha beta,12R*,13S*)-1,15,16-decahydro-12H-6,11[1',2']-endo-cyclopenta-2H-pyrido[1,2-b]isoquinoline hydrobromide (5h) and 9-hydroxy-(6 alpha,11 alpha,11 alpha beta,12R*,13S*)-1,3,4,6,11,11a,13,14,15,16-decahydro-12H-6,11[1',2']-endo-cyclopenta-2H-pyrido[1,2-b]isoquinoline hydrobromide(5i), the most potent members of this series with K-i values of 2.3 +/- 0.2 and 2.3 +/- 0.5 nM, respectively. Molecular modeling studies revealed that this series of compounds occupies both lipophilic sites of the Andrews PCP receptor model and shares structural features which are common to other classes of known noncompetitive NMDA antagonists such as MK-801.

  DOI：

  10.1021/jm00013a025
• 作为产物：
  描述：

  1-<4-Fluor-benzyl>-2-<1,3-dioxolan-2-yl>-pyridinium-bromid 以 水 、 氢溴酸 为溶剂， 以3 g (41%)的产率得到9-fluorobenzoquinolizinium perchlorate
  参考文献：
  名称：

  Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and

  摘要：

  替代的6,11-乙烷-6,11-二氢苯并[b]喹啉盐，含有它们的药物组合物，以及利用它们治疗神经退行性疾病或神经毒性损伤的方法，其中替代的6,11-乙烷-6,11-二氢苯并[b]喹啉盐具有以下结构式：##STR1## 其中：R.sup.1、R.sup.2、R.sup.3、R.sup.4、R.sup.5、R.sup.6、R.sup.7、X 和 p 如规范中所定义。

  公开号：

  US05554620A1

文献信息

• 6,11-substituted-6,11-dihydrobenzo[b]quinolizinium salts and
  申请人：Sterling Winthrop Inc.

  公开号：US05430036A1

  公开（公告）日：1995-07-04

  6,11-Substituted-6,11-dihydrobenzo[b]quinolizinium salts, pharmaceutical compositions containing them and methods for the treatment or prevention of neurodegenerative disorders or neurotoxic injuries utilizing them.

  6,11-取代-6,11-二氢苯并[b]喹啉盐，包含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。
• 6,11-cyclyl-1,2,3,4,5,6,11,11a-octahydrobenzo[b]quinolines and
  申请人：Sterling Winthrop Inc.

  公开号：US05434159A1

  公开（公告）日：1995-07-18

  6,11'-Cyclyl-1,2,3,4,5,6,11,11a-octahydrobenzo[b]quinolizine derivatives, pharmaceutical compositions containing them and methods for the treatment or prevention of neurodegenerative disorders or neurotoxic injuries utilizing them.

  6,11'-环-1,2,3,4,5,6,11,11a-八氢苯并[b]喹啉衍生物，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 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof
  申请人：STERLING WINTHROP INC.

  公开号：EP0656359A1

  公开（公告）日：1995-06-07

  Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts of Formula, pharmaceutical compositions containing them, and methods for the treatment or prevention of neurodegenerative disorders or neurotoxic injuries utilizing them.

  式中的取代的 6,11-乙hano-6,11-二氢苯并[b]喹嗪盐、 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。
• US5430036A
  申请人：——

  公开号：US5430036A

  公开（公告）日：1995-07-04
• US5434159A
  申请人：——

  公开号：US5434159A

  公开（公告）日：1995-07-18