N1-methyl-N2-phenyl-N2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)ethane-1,2-diamine | 1254704-86-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N1-methyl-N2-phenyl-N2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)ethane-1,2-diamine
• 英文别名: N1-Methyl-N2-phenyl-N2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-ethane-1,2-diamine；N-methyl-N'-phenyl-N'-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethane-1,2-diamine
• CAS: 1254704-86-3
• 化学式: C₂₁H₂₉N₃O
• 分子量: 339.481
• InChiKey: LBBBRPSDINTRFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  27.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N1-benzyl-N1-methyl-N2-phenyl-N2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)ethane-1,2-diamine 在 20% palladium hydroxide on carbon 、 氢气 作用下， 以 异丙醇 为溶剂， 反应 4.0h， 以57%的产率得到N1-methyl-N2-phenyl-N2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)ethane-1,2-diamine
  参考文献：
  名称：

  Diaryldiamines with Dual Inhibition of the Histamine H₃ Receptor and the Norepinephrine Transporter and the Efficacy of 4-(3-(Methylamino)-1-phenylpropyl)-6-(2-(pyrrolidin-1-yl)ethoxy)naphthalen-1-ol in Pain

  摘要：

  A series of compounds was designed as dual inhibitors of the H-3 receptor and the norepinephrine transporter. Compound 5 (rNET K-i = 14 nM; rH(3)R K-i = 37 nM) was found to be efficacious in a rat model of osteoarthritic pain.

  DOI：

  10.1021/jm100666w

文献信息

• Diaryldiamines with Dual Inhibition of the Histamine H₃ Receptor and the Norepinephrine Transporter and the Efficacy of 4-(3-(Methylamino)-1-phenylpropyl)-6-(2-(pyrrolidin-1-yl)ethoxy)naphthalen-1-ol in Pain
  作者：Robert J. Altenbach、Lawrence A. Black、Marina I. Strakhova、Arlene M. Manelli、Tracy L. Carr、Kennan C. Marsh、Jill M. Wetter、Erica J. Wensink、Gin C. Hsieh、Prisca Honore、Tiffany Runyan Garrison、Jorge D. Brioni、Marlon D. Cowart

  DOI：10.1021/jm100666w

  日期：2010.11.11

  A series of compounds was designed as dual inhibitors of the H-3 receptor and the norepinephrine transporter. Compound 5 (rNET K-i = 14 nM; rH(3)R K-i = 37 nM) was found to be efficacious in a rat model of osteoarthritic pain.