1-甲基-4-(2'-甲基苯基)-1,2,3,6-四氢吡啶盐酸盐 | 102417-86-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-甲基-4-(2'-甲基苯基)-1,2,3,6-四氢吡啶盐酸盐
• 英文名称: 1-methyl-4-(2'-methylphenyl)-1,2,3,6-tetrahydropyridine
• 英文别名: 1-methyl-4-(2-methylphenyl)-3,6-dihydro-2H-pyridine
• CAS: 102417-86-7
• 化学式: C₁₃H₁₇N
• 分子量: 187.285
• InChiKey: BORHNVHYIYTKKC-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于水中

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 安全说明：
  S45
• 危险类别码：
  R25,R39/23/24/25

反应信息

• 作为反应物：
  描述：

  1-甲基-4-(2'-甲基苯基)-1,2,3,6-四氢吡啶盐酸盐 在 palladium on activated charcoal 作用下， 以 邻二甲苯 为溶剂， 反应 12.0h， 生成 4-(o-tolyl)pyridine
  参考文献：
  名称：

  In vivo intracerebral microdialysis studies in rats of MPP+ (1-methyl-4-phenylpyridinium) analogs and related charged species

  摘要：

  The in vivo dopaminergic neurotoxic properties of 45 MPTP and MPP+ analogues and related compounds were examined by an intrastriatal microdialysis assay in conscious rats. MPP(+)-like toxicity, as evidenced by the irreversible effects on DA release and enhancement of lactate formation, was observed with a variety of structural types although no compound was more toxic than MPP+. The following global structure-toxicity relationships could be derived: (1) only permanently charged compounds showed neurotoxic effects; (2) with the exception of amino groups, hydrophilic substituents abolished toxicity; (3) activity was enhanced by lipophilic groups although increased steric bulk around the nitrogen atom tended to decrease activity; (4) nonaromatic, quaternary systems (methiodide of MPTP, guanidinium derivatives) were only weakly toxic; and (5) certain bi- and tricyclic systems, including putative metabolites of potential endogenous MPTP-like compounds, were weakly toxic. The lack of toxic effects following perfusions with DA itself confirmed that MPTP dopaminergic neurotoxicity is not likely to be mediated by the MPP(+)-induced release of DA. With some interesting exceptions, these in vivo data correlate reasonably well with in vitro data on the nerve terminal uptake properties and the inhibitory effects on mitochondrial respiration of these compounds.

  DOI：

  10.1021/jm00170a029
• 作为产物：
  描述：

  4-hydroxy-1-methyl-4-(2-methylphenyl)piperidine 在 盐酸 、 溶剂黄146 作用下， 反应 10.0h， 生成 1-甲基-4-(2'-甲基苯基)-1,2,3,6-四氢吡啶盐酸盐
  参考文献：
  名称：

  In vivo intracerebral microdialysis studies in rats of MPP+ (1-methyl-4-phenylpyridinium) analogs and related charged species

  摘要：

  The in vivo dopaminergic neurotoxic properties of 45 MPTP and MPP+ analogues and related compounds were examined by an intrastriatal microdialysis assay in conscious rats. MPP(+)-like toxicity, as evidenced by the irreversible effects on DA release and enhancement of lactate formation, was observed with a variety of structural types although no compound was more toxic than MPP+. The following global structure-toxicity relationships could be derived: (1) only permanently charged compounds showed neurotoxic effects; (2) with the exception of amino groups, hydrophilic substituents abolished toxicity; (3) activity was enhanced by lipophilic groups although increased steric bulk around the nitrogen atom tended to decrease activity; (4) nonaromatic, quaternary systems (methiodide of MPTP, guanidinium derivatives) were only weakly toxic; and (5) certain bi- and tricyclic systems, including putative metabolites of potential endogenous MPTP-like compounds, were weakly toxic. The lack of toxic effects following perfusions with DA itself confirmed that MPTP dopaminergic neurotoxicity is not likely to be mediated by the MPP(+)-induced release of DA. With some interesting exceptions, these in vivo data correlate reasonably well with in vitro data on the nerve terminal uptake properties and the inhibitory effects on mitochondrial respiration of these compounds.

  DOI：

  10.1021/jm00170a029

文献信息

• Method for treating neurological disorders with imidazolium and imidazolinium compounds
  申请人：Agency for Science, Technology and Research

  公开号：EP2803356A1

  公开（公告）日：2014-11-19

  There is presently provided methods for delivering a neuroprotective agent to a neural cell. The methods comprise contacting a neural cell with an imidazolium or imidazolinium compound as described herein, including an imidazolium or imidazolinium salt.

  目前提供了向神经细胞递送神经保护剂的方法。这些方法包括将神经细胞与本文所述的咪唑或咪唑啉化合物（包括咪唑盐或咪唑啉盐）接触。
• IN VIVO FLUORESCENCE IMAGING
  申请人：Agency for Science, Technology and Research

  公开号：EP1945024A1

  公开（公告）日：2008-07-23
• EP1945024A4
  申请人：——

  公开号：EP1945024A4

  公开（公告）日：2008-12-17
• METHOD OF MONITORING RETINOPATHY
  申请人：Agency for Science, Technology and Research

  公开号：EP2167956A1

  公开（公告）日：2010-03-31
• METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS
  申请人：Agency for Science, Technology And Research

  公开号：EP2271338A1

  公开（公告）日：2011-01-12