N-methyl-1-[6-methyl-4-(2-propylphenoxy)pyridin-3-yl]methanamine | 1025344-76-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-methyl-1-[6-methyl-4-(2-propylphenoxy)pyridin-3-yl]methanamine
• CAS: 1025344-76-6
• 化学式: C₁₇H₂₂N₂O
• 分子量: 270.374
• InChiKey: IKZQDEYILGZICZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  34.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 N-methyl-1-[6-methyl-4-(2-propylphenoxy)pyridin-3-yl]methanamine 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 生成 N,N-dimethyl-1-[6-methyl-4-(2-propylphenoxy)pyridin-3-yl]methanamine
  参考文献：
  名称：

  [4-(Phenoxy)pyridin-3-yl]methylamines: A new class of selective noradrenaline reuptake inhibitors

  摘要：

  4-( Phenoxy) pyridine- 3- yl] methylamines are disclosed as a new series of selective noradrenaline reuptake inhibitors ( NRI). Structure - activity relationships established that potent NRI activity could be achieved by appropriate substitution at the 2- position of the phenoxy ring. Compound 31 demonstrated potent NRI activity combined with good selectivity over serotonin and dopamine reuptake and no significant off-target pharmacology. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.036
• 作为产物：
  描述：

  N,6-dimethyl-4-(2-propylphenoxy)nicotinamide 在 三氟化硼四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 生成 N-methyl-1-[6-methyl-4-(2-propylphenoxy)pyridin-3-yl]methanamine
  参考文献：
  名称：

  [4-(Phenoxy)pyridin-3-yl]methylamines: A new class of selective noradrenaline reuptake inhibitors

  摘要：

  4-( Phenoxy) pyridine- 3- yl] methylamines are disclosed as a new series of selective noradrenaline reuptake inhibitors ( NRI). Structure - activity relationships established that potent NRI activity could be achieved by appropriate substitution at the 2- position of the phenoxy ring. Compound 31 demonstrated potent NRI activity combined with good selectivity over serotonin and dopamine reuptake and no significant off-target pharmacology. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.036

文献信息

• [4-(Phenoxy)pyridin-3-yl]methylamines: A new class of selective noradrenaline reuptake inhibitors
  作者：Paul V. Fish、Thomas Ryckmans、Alan Stobie、Florian Wakenhut

  DOI：10.1016/j.bmcl.2008.02.036

  日期：2008.3

  4-( Phenoxy) pyridine- 3- yl] methylamines are disclosed as a new series of selective noradrenaline reuptake inhibitors ( NRI). Structure - activity relationships established that potent NRI activity could be achieved by appropriate substitution at the 2- position of the phenoxy ring. Compound 31 demonstrated potent NRI activity combined with good selectivity over serotonin and dopamine reuptake and no significant off-target pharmacology. (C) 2008 Elsevier Ltd. All rights reserved.