5-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl)nicotinonitrile | 1154063-11-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl)nicotinonitrile
• 英文别名: 5-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyridine-3-carbonitrile
• CAS: 1154063-11-2
• 化学式: C₂₁H₁₄F₂N₄
• 分子量: 360.366
• InChiKey: LXGUHKBTIMZPFB-UHFFFAOYSA-N

物化性质

• 沸点：
  505.9±60.0 °C(predicted)
• 密度：
  1.29±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  61.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,1-双(4-氟苯基)-1,2-乙二胺 、 5-氰基-3-吡啶甲酸甲酯 以29%的产率得到5-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl)nicotinonitrile
  参考文献：
  名称：

  Discovery of substituted 2,4,4-triarylimidazoline derivatives as potent and selective neuropeptide Y Y5 receptor antagonists

  摘要：

  Novel imidazoline derivatives were discovered to be potent neuropeptide Y Y5 receptor antagonists. High-throughput screening of Merck sample collections against the human Y5 receptor resulted in the identification of 2,4,4-triphenylimidazoline (1), which had an IC(50) of 54 nM. Subsequent optimization led to the identification of several potent derivatives. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.101

文献信息

• Discovery of substituted 2,4,4-triarylimidazoline derivatives as potent and selective neuropeptide Y Y5 receptor antagonists
  作者：Nagaaki Sato、Makoto Jitsuoka、Shiho Ishikawa、Keita Nagai、Hiroyasu Tsuge、Makoto Ando、Osamu Okamoto、Hisashi Iwaasa、Akira Gomori、Akane Ishihara、Akio Kanatani、Takehiro Fukami

  DOI：10.1016/j.bmcl.2009.01.101

  日期：2009.3

  Novel imidazoline derivatives were discovered to be potent neuropeptide Y Y5 receptor antagonists. High-throughput screening of Merck sample collections against the human Y5 receptor resulted in the identification of 2,4,4-triphenylimidazoline (1), which had an IC(50) of 54 nM. Subsequent optimization led to the identification of several potent derivatives. (C) 2009 Elsevier Ltd. All rights reserved.