| 1164113-33-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1164113-33-0
• 化学式: C₁₃H₁₃N₃O₂
• 分子量: 243.265
• InChiKey: OYBJJMRSVQBQPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.73
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  63.25
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-[(3-Methylbenzo[b]thien-2-yl)methyl]piperazine 、 以 二甲基亚砜 为溶剂， 生成 N-[6-(methylamino)pyridin-3-yl]-4-[(3-methyl-1-benzothiophen-2-yl)methyl]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