3-[5-(4-甲基哌嗪-1-基)戊氧基]苯甲醛 | 919088-64-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-[5-(4-甲基哌嗪-1-基)戊氧基]苯甲醛
• 英文名称: 3-{[5-(4-Methylpiperazin-1-YL)pentyl]oxy}benzaldehyde
• 英文别名: 3-[5-(4-methylpiperazin-1-yl)pentoxy]benzaldehyde
• CAS: 919088-64-5
• 化学式: C₁₇H₂₆N₂O₂
• 分子量: 290.406
• InChiKey: GMFYVJSOSPYFIH-UHFFFAOYSA-N

物化性质

• 沸点：
  424.7±35.0 °C(Predicted)
• 密度：
  1.053±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 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-[5-(4-甲基哌嗪-1-基)戊氧基]苯甲醛 、 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

文献信息

• Identification of 2-arylbenzimidazoles as potent human histamine H4 receptor ligands
  作者：Alice Lee-Dutra、Kristen L. Arienti、Daniel J. Buzard、Michael D. Hack、Haripada Khatuya、Pragnya J. Desai、Steven Nguyen、Robin L. Thurmond、Lars Karlsson、James P. Edwards、J. Guy Breitenbucher

  DOI：10.1016/j.bmcl.2006.08.117

  日期：2006.12

  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.