(1-{3-[4-(5-tert-butyl-1H-benzoimidazol-2-yl)-2-chloro-phenoxy]-propyl}-pyrrolidin-3-yl)-dimethylamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: (1-{3-[4-(5-tert-butyl-1H-benzoimidazol-2-yl)-2-chloro-phenoxy]-propyl}-pyrrolidin-3-yl)-dimethylamine
• 英文别名: 1-{3-[4-(5-tert-butyl-1H-1,3-benzodiazol-2-yl)-2-chlorophenoxy]propyl}-N,N-dimethylpyrrolidin-3-amine；1-[3-[4-(6-tert-butyl-1H-benzimidazol-2-yl)-2-chlorophenoxy]propyl]-N,N-dimethylpyrrolidin-3-amine
• 化学式: C₂₆H₃₅ClN₄O
• 分子量: 455.043
• InChiKey: AADBANJKFIORNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  44.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-(二甲氨基)吡咯烷 在 sodium disulfite 、 sodium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基乙酰胺 、 正丁醇 为溶剂， 生成 (1-{3-[4-(5-tert-butyl-1H-benzoimidazol-2-yl)-2-chloro-phenoxy]-propyl}-pyrrolidin-3-yl)-dimethylamine
  参考文献：
  名称：

  Identification of 2-arylbenzimidazoles as potent human histamine H4 receptor ligands

  摘要：

  A series of 2-arylbenzimidazoles was synthesized and found to bind with high affinity to the human histamine H(4) receptor. Structure-activity relationships were investigated through library preparation and evaluation as well as traditional medicinal chemistry approaches, leading to the discovery of compounds with single-digit nanomolar affinity for the H(4) receptor.

  DOI：

  10.1016/j.bmcl.2006.08.117

文献信息

• Benzoimidazole compounds
  申请人：Arienti L. Kristen

  公开号：US20050070550A1

  公开（公告）日：2005-03-31

  Benzoimidazole compounds, compositions, and methods of using them in leukocyte recruitment inhibition, in modulating H 4 receptor, and in treating conditions such as inflammation, H 4 receptor-mediated conditions, and related conditions.

  苯并咪唑化合物、配方及其在白细胞召集抑制、调节H4受体以及治疗炎症、H4受体介导的疾病和相关疾病中的应用方法。
• Method for Pain Treatment
  申请人：Cowart Marlon D.

  公开号：US20080194538A1

  公开（公告）日：2008-08-14

  This invention discloses a method of treating pain by administering histamine H 4 receptor ligands and compositions comprising the same.

  这项发明揭示了一种通过给予组织胺H4受体配体和包含相同的组合物来治疗疼痛的方法。
• Benzoimidazole Compounds
  申请人：Edwards James P.

  公开号：US20090247508A1

  公开（公告）日：2009-10-01

  Benzoimidazole compounds, compositions, and methods of using them in leukocyte recruitment inhibition, in modulating H 4 receptor, and in treating conditions such as inflammation, H 4 receptor-mediated conditions, and related conditions.

  苯并咪唑化合物，组合物，以及它们在白细胞招募抑制，调节H4受体和治疗炎症，H4受体介导的疾病和相关疾病方面的使用方法。
• Selective Histamine H4 Receptor Antagonists for the Treatment of Vestibular Disorders
  申请人：Desmadryl Gilles

  公开号：US20120039913A1

  公开（公告）日：2012-02-16

  The invention relates to Histamine H4 receptor antagonists or inhibitors of Histamine H4 receptor gene expression for the treatment and/or the prevention of vestibular disorders.

  该发明涉及组胺H4受体拮抗剂或组胺H4受体基因表达抑制剂，用于治疗和/或预防前庭障碍。
• SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS
  申请人：INSERM (Institut National de la Santé et de la Recherche Médicale)

  公开号：EP3130376A1

  公开（公告）日：2017-02-15

  The invention relates to Histamine H4 receptor antagonists or inhibitors of Histamine H4 receptor gene expression for the treatment and/or the prevention of vestibular disorders.

  本发明涉及组胺 H4 受体拮抗剂或组胺 H4 受体基因表达抑制剂，用于治疗和/或预防前庭失调。