(4-cyclobutylpiperazin-1-yl)(4-((4-fluoropiperidin-1-yl)methyl)phenyl)methanone | 929622-24-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (4-cyclobutylpiperazin-1-yl)(4-((4-fluoropiperidin-1-yl)methyl)phenyl)methanone
• 英文别名: (4-Cyclobutylpiperazin-1-yl)-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]methanone
• CAS: 929622-24-2
• 化学式: C₂₁H₃₀FN₃O
• 分子量: 359.487
• InChiKey: UCZVLCSIDIEIFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  26.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4-cyclobutylpiperazin-1-yl)(4-((4-fluoropiperidin-1-yl)methyl)phenyl)methanone 、 柠檬酸 生成 (4-cyclobutylpiperazin-1-yl)(4-((4-fluoropiperidin-1-yl)methyl)phenyl)methanone cytrate
  参考文献：
  名称：

  Novel Benzamide-Based Histamine H3 Receptor Antagonists: The Identification of Two Candidates for Clinical Development

  摘要：

  The preclinical characterization of novel phenyl(piperazin-1-yl)methanones that are histamine H-3 receptor antagonists is described. The compounds described are high affinity histamine H-3 antagonists. Optimization of the physical properties of these histamine H-3 antagonists led to the discovery of several promising lead compounds, and extensive preclinical profiling aided in the identification of compounds with optimal duration of action for wake promoting activity. This led to the discovery of two development candidates for Phase I and Phase II clinical trials.

  DOI：

  10.1021/ml5005156
• 作为产物：
  描述：

  对醛基苯甲酸 在 三乙酰氧基硼氢化钠 、 1-羟基苯并三唑 、 溶剂黄146 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 (4-cyclobutylpiperazin-1-yl)(4-((4-fluoropiperidin-1-yl)methyl)phenyl)methanone
  参考文献：
  名称：

  Novel Benzamide-Based Histamine H3 Receptor Antagonists: The Identification of Two Candidates for Clinical Development

  摘要：

  The preclinical characterization of novel phenyl(piperazin-1-yl)methanones that are histamine H-3 receptor antagonists is described. The compounds described are high affinity histamine H-3 antagonists. Optimization of the physical properties of these histamine H-3 antagonists led to the discovery of several promising lead compounds, and extensive preclinical profiling aided in the identification of compounds with optimal duration of action for wake promoting activity. This led to the discovery of two development candidates for Phase I and Phase II clinical trials.

  DOI：

  10.1021/ml5005156

文献信息

• CYCLOPROPYL AMINES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR
  申请人：Allison D. Brett

  公开号：US20070066821A1

  公开（公告）日：2007-03-22

  Certain cyclopropyl amines are histamine H 3 modulators useful in the treatment of histamine H 3 receptor mediated diseases.

  某些环丙胺是组胺H3调节剂，可用于治疗组胺H3受体介导的疾病。
• Cyclopropyl Amines as Modulators of the Histamine H3 Receptor
  申请人：Allison Brett D.

  公开号：US20100130485A1

  公开（公告）日：2010-05-27

  Certain cyclopropyl amines are histamine H 3 modulators useful in the treatment of histamine H 3 receptor mediated diseases.

  某些环丙胺是组胺H3调节剂，可用于治疗组胺H3受体介导的疾病。
• US7687499B2
  申请人：——

  公开号：US7687499B2

  公开（公告）日：2010-03-30
• US7910582B2
  申请人：——

  公开号：US7910582B2

  公开（公告）日：2011-03-22
• US8026242B2
  申请人：——

  公开号：US8026242B2

  公开（公告）日：2011-09-27