(4-isopropylpiperazin-1-yl)(4-(piperidin-1-ylmethyl)phenyl)methanone

• 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-isopropylpiperazin-1-yl)(4-(piperidin-1-ylmethyl)phenyl)methanone
• 英文别名: (1-Isopropylpiperidin-4-yl)(4-(piperidin-1-ylmethyl)phenyl)methanone；[4-(piperidin-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
• 化学式: C₂₀H₃₁N₃O
• 分子量: 329.486
• InChiKey: DSNALXIKDKGHLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  26.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-isopropylpiperazin-1-yl)(4-(piperidin-1-ylmethyl)phenyl)methanone 、 顺丁烯二酸 以 乙醇 为溶剂， 反应 1.0h， 生成 (4-isopropylpiperazin-1-yl)(4-(piperidin-1-ylmethyl)phenyl)methanone bis-hydrogenmaleate
  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：

  tert-butyl 4-(4-formylbenzoyl)piperazine-1-carboxylate 在 三乙酰氧基硼氢化钠 、 溶剂黄146 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 6.5h， 生成 (4-isopropylpiperazin-1-yl)(4-(piperidin-1-ylmethyl)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

• [EN] PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES<br/>[FR] BENZAMIDES ET BENZTHIOAMIDES PIPERAZINYLE ET DIAZEPANYLE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2004037801A1

  公开（公告）日：2004-05-06

  Substituted piperazinyl and diazepanyl benzamides and benzthioamides of formula (I), compositions containing them, and methods of making and using them to treat histamine-mediated conditions.

  公式（I）的替代哌嗪基和二氮杂环己基苯甲酰胺和苯硫代酰胺，含有它们的组合物，以及制备和使用它们来治疗组胺介导的疾病的方法。
• TREATMENT OF OSTEOARTHRITIS PAIN
  申请人：AbbVie Inc.

  公开号：US20160089378A1

  公开（公告）日：2016-03-31

  This invention discloses a method of treatment of osteoarthritis pain by administration of a histamine H 3 receptor antagonist, described herein, a salt thereof, or a composition comprising such compound or salt.

  本发明公开了一种治疗骨关节炎疼痛的方法，通过给予本文描述的组织胺H3受体拮抗剂，其盐，或包含该化合物或盐的组合物。
• Piperazinyl and diazapanyl benzamides and benzthioamides
  申请人：——

  公开号：US20040110746A1

  公开（公告）日：2004-06-10

  Substituted piperazinyl and diazepanyl benzamides and benzthioamides of formula (I), compositions containing them, and methods of making and using them to treat histamine-mediated conditions.

  公式（I）中的替代哌嗪基和二氮杂环巴豆酰胺和苯硫酰胺，包含它们的组合物以及制备和使用它们治疗组胺介导的疾病的方法。
• PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES
  申请人：Apodaca L. Richard

  公开号：US20080056991A1

  公开（公告）日：2008-03-06

  Substituted piperazinyl and diazepanyl benzamides and benzthioamides of formula (I), compositions containing them, and methods of making and using them to treat histamine-mediated conditions.

  本发明涉及公式（I）的替代哌嗪基和二氮杂环基苯甲酰胺和苯硫酰胺，包含它们的组合物以及使用它们治疗组胺介导的疾病的方法。
• NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES
  申请人：Mani S. Neelakandha

  公开号：US20070129351A1

  公开（公告）日：2007-06-07

  The present invention is directed to novel processes for the preparation of cyclopropyl-amide derivatives, useful for the treatment of disorders and conditions mediated by the histamine receptor.

  本发明涉及一种新型的环丙基酰胺衍生物制备方法，用于治疗由组胺受体介导的疾病和病状。