4-(3-(methylamino)-1-phenylpropyl)-6-(2-(pyrrolidin-1-yl)ethoxy)naphthalen-1-ol | 1254704-84-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-(3-(methylamino)-1-phenylpropyl)-6-(2-(pyrrolidin-1-yl)ethoxy)naphthalen-1-ol
• 英文别名: 4-[3-(methylamino)-1-phenylpropyl]-6-(2-pyrrolidin-1-ylethoxy)naphthalen-1-ol
• CAS: 1254704-84-1
• 化学式: C₂₆H₃₂N₂O₂
• 分子量: 404.552
• InChiKey: ZXMRPSJTSMBYHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  44.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(3-(methylamino)-1-phenylpropyl)-6-(2-(pyrrolidin-1-yl)ethoxy)naphthalen-1-ol 在 磷酸 作用下， 以 水 、 乙腈 为溶剂， 反应 2.0h， 以79%的产率得到4-(3-(methylamino)-1-phenylpropyl)-6-(2-(pyrrolidin-1-yl)ethoxy)naphthalen-1-ol phosphate
  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
• 作为产物：
  描述：

  N-甲基-3-苯基-3-羟基丙胺 、 6-(2-(pyrrolidin-1-yl)ethoxy)naphthalen-1-ol 在 三氟乙酸 、 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 以23%的产率得到4-(3-(methylamino)-1-phenylpropyl)-6-(2-(pyrrolidin-1-yl)ethoxy)naphthalen-1-ol
  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.