1-[(3-Methylbenzo[b]thien-2-yl)methyl]piperazine | 1065849-34-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 1-[(3-Methylbenzo[b]thien-2-yl)methyl]piperazine
• 英文别名: 1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine
• CAS: 1065849-34-4
• 化学式: C₁₄H₁₈N₂S
• 分子量: 246.376
• InChiKey: UPMXNXXMXOYXGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  43.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[(3-Methylbenzo[b]thien-2-yl)methyl]piperazine 、 3-异氰酸吡啶 以 二氯甲烷 为溶剂， 生成 4-((3-methylbenzo[b]thiophen-2-yl)methyl)-N-(pyridin-3-yl)piperazine-1-carboxamide
  参考文献：
  名称：

  Benzothiophene piperazine and piperidine urea inhibitors of fatty acid amide hydrolase (FAAH)

  摘要：

  The synthesis and structure-activity relationships (SAR) of a series of benzothiophene piperazine and piperidine urea FAAH inhibitors is described. These compounds inhibit FAAH by covalently modifying the enzyme's active site serine nucleophile. Activity-based protein pro. ling (ABPP) revealed that these urea inhibitors were completely selective for FAAH relative to other mammalian serine hydrolases. Several compounds showed in vivo activity in a rat complete Freund's adjuvant (CFA) model of inflammatory pain. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.080

文献信息

• Use of FAAH Inhibitors for Treating Abdominal, Visceral and Pelvic Pain
  申请人：Pearson James Philip

  公开号：US20130224151A1

  公开（公告）日：2013-08-29

  The present disclosure relates to methods of using fatty acid amide hydrolase (FAAH) inhibitors alone or in combination for the treatment or prevention of abdominal, visceral or pelvic pain. Also described herein are pharmaceutical compositions comprising a FAAH inhibitor, alone or in combination with an additional therapeutic agent for the treatment of abdominal, visceral or pelvic pain.