3-[4-(4-Methyl-piperazin-1-yl)-butoxy]-benzaldehyde | 848847-34-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-[4-(4-Methyl-piperazin-1-yl)-butoxy]-benzaldehyde
• 英文别名: 3-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde
• CAS: 848847-34-7
• 化学式: C₁₆H₂₄N₂O₂
• 分子量: 276.379
• InChiKey: SGXHQDULCQTIMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-[4-(4-Methyl-piperazin-1-yl)-butoxy]-benzaldehyde 、 4-氯-1,2-苯二胺 在 sodium disulfite 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 生成
  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
• 作为产物：
  描述：

  间羟基苯甲醛 在 sodium carbonate 、 potassium carbonate 、 potassium iodide 作用下， 以 乙腈 、 正丁醇 为溶剂， 生成 3-[4-(4-Methyl-piperazin-1-yl)-butoxy]-benzaldehyde
  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。
• 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。
• BENZOIMIDAZOLE COMPOUNDS
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1673348A2

  公开（公告）日：2006-06-28
• US7432378B2
  申请人：——

  公开号：US7432378B2

  公开（公告）日：2008-10-07
• US7662966B2
  申请人：——

  公开号：US7662966B2

  公开（公告）日：2010-02-16