N-{[5-(5,6-diphenylpyridazin-3-yl)amino]pentyl}heptanamide | 872453-48-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-{[5-(5,6-diphenylpyridazin-3-yl)amino]pentyl}heptanamide
• 英文别名: N-[5-[(5,6-diphenylpyridazin-3-yl)amino]pentyl]heptanamide
• CAS: 872453-48-0
• 化学式: C₂₈H₃₆N₄O
• 分子量: 444.62
• InChiKey: IPPXMXLWMXHSQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  33
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  66.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-{[5-(5,6-diphenylpyridazin-3-yl)amino]pentyl}heptanamide 在 lithium aluminium tetrahydride 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 19.0h， 生成 3-(2,4-Difluorophenyl)-1-[5-[(5,6-diphenylpyridazin-3-yl)amino]pentyl]-1-heptylurea
  参考文献：
  名称：

  Mono- or Diphenylpyridazines Connected to N-(2,4-Difluorophenyl)-N‘-heptylurea as Acyl-CoA:Cholesterol Acyltransferase Inhibitors

  摘要：

  Mono- and diphenylpyridazine ureido derivatives, structurally related to DuP 128, were synthesized and tested for their inhibitory activity against ACAT isolated from rat liver microsomes. Several compounds displayed ACAT inhibition in the micromolar range. The amino derivatives 4a-c were also tested against hACAT-1 and hACAT-2 isoforms. They retained the same trend shown in the previous assay. Modeling studies on representative terms were performed. Significant similarities between the geometrical features of the model DuP 128 and the most active pyridazine derivatives were observed.

  DOI：

  10.1021/jm050703x
• 作为产物：
  描述：

  5,6-二(苯基)-2H-哒嗪-3-酮 在 TEA 、 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 反应 5.5h， 生成 N-{[5-(5,6-diphenylpyridazin-3-yl)amino]pentyl}heptanamide
  参考文献：
  名称：

  Mono- or Diphenylpyridazines Connected to N-(2,4-Difluorophenyl)-N‘-heptylurea as Acyl-CoA:Cholesterol Acyltransferase Inhibitors

  摘要：

  Mono- and diphenylpyridazine ureido derivatives, structurally related to DuP 128, were synthesized and tested for their inhibitory activity against ACAT isolated from rat liver microsomes. Several compounds displayed ACAT inhibition in the micromolar range. The amino derivatives 4a-c were also tested against hACAT-1 and hACAT-2 isoforms. They retained the same trend shown in the previous assay. Modeling studies on representative terms were performed. Significant similarities between the geometrical features of the model DuP 128 and the most active pyridazine derivatives were observed.

  DOI：

  10.1021/jm050703x

文献信息

• Mono- or Diphenylpyridazines Connected to <i>N</i>-(2,4-Difluorophenyl)-<i>N</i>‘-heptylurea as Acyl-CoA:Cholesterol Acyltransferase Inhibitors
  作者：Arianna Gelain、Ilaria Bettinelli、Daniela Barlocco、Byoung-Mog Kwon、Tae-Sook Jeong、Kyung-Hyun Cho、Lucio Toma

  DOI：10.1021/jm050703x

  日期：2005.12.1

  Mono- and diphenylpyridazine ureido derivatives, structurally related to DuP 128, were synthesized and tested for their inhibitory activity against ACAT isolated from rat liver microsomes. Several compounds displayed ACAT inhibition in the micromolar range. The amino derivatives 4a-c were also tested against hACAT-1 and hACAT-2 isoforms. They retained the same trend shown in the previous assay. Modeling studies on representative terms were performed. Significant similarities between the geometrical features of the model DuP 128 and the most active pyridazine derivatives were observed.