N'-(6-phenylpyridazin-3-yl)pentane-1,5-diamine | 872453-59-3

• 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'-(6-phenylpyridazin-3-yl)pentane-1,5-diamine
• CAS: 872453-59-3
• 化学式: C₁₅H₂₀N₄
• 分子量: 256.351
• InChiKey: WTYMDMYOEKAQBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  63.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N'-(6-phenylpyridazin-3-yl)pentane-1,5-diamine 在 lithium aluminium tetrahydride 、 TEA 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 19.0h， 生成 N-heptyl-N'-(6-phenylpyridazin-3-yl)pentane-1,5-diamine
  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：

  6-苯基-3-哒嗪酮 在 三氯氧磷 作用下， 反应 4.5h， 生成 N'-(6-phenylpyridazin-3-yl)pentane-1,5-diamine
  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

• Pyridazine Compounds, Compositions and Methods
  申请人：Watterson Martin

  公开号：US20080318899A1

  公开（公告）日：2008-12-25

  The invention relates to novel chemical compounds and methods of making and using the same. In particular, the invention provides pyridazine compounds and/or related heterocyclic derivatives, compositions comprising the same, and methods of using pyridazine compounds and/or related heterocyclic derivatives and compositions comprising the same, for modulation of cellular pathways (e.g., signal transduction pathways), for treatment or prevention of inflammatory diseases (e.g., Alzheimer's disease), for research, drug screening, and therapeutic applications.

  本发明涉及新型化合物和制备和使用它们的方法。具体而言，本发明提供吡嗪化合物和/或相关的杂环衍生物，包括这些化合物的组合物，以及使用吡嗪化合物和/或相关的杂环衍生物和组合物的方法，用于调节细胞通路（例如信号转导通路），用于治疗或预防炎症性疾病（例如阿尔茨海默病），用于研究、药物筛选和治疗应用。
• US8367672B2
  申请人：——

  公开号：US8367672B2

  公开（公告）日：2013-02-05