(4-(3-(4-(3-Fluorophenyl)pyridazino[4,5-b]indolizin-1-ylamino)propyl)piperazin-1-yl)(pyridin-3-yl)methanone | 1227151-39-4

• 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: (4-(3-(4-(3-Fluorophenyl)pyridazino[4,5-b]indolizin-1-ylamino)propyl)piperazin-1-yl)(pyridin-3-yl)methanone
• 英文别名: [4-[3-[[4-(3-fluorophenyl)pyridazino[4,5-b]indolizin-1-yl]amino]propyl]piperazin-1-yl]-pyridin-3-ylmethanone
• CAS: 1227151-39-4
• 化学式: C₂₉H₂₈FN₇O
• 分子量: 509.586
• InChiKey: YQIPFEIQIMLPOP-UHFFFAOYSA-N

物化性质

• 沸点：
  684.0±55.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  78.7
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  烟酰氯 、 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 (4-(3-(4-(3-Fluorophenyl)pyridazino[4,5-b]indolizin-1-ylamino)propyl)piperazin-1-yl)(pyridin-3-yl)methanone
  参考文献：
  名称：

  Identification of pyridazino[4,5-b]indolizines as selective PDE4B inhibitors

  摘要：

  Substituted pyridazino[4,5-b]indolizines were identified as potent and selective PDE4B inhibitors. We describe the structure-activity relationships generated around an HTS hit that led to a series of compounds with low nanomolar affinity for PDE4B and high selectivity over the PDE4D subtype. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.044

文献信息

• Identification of pyridazino[4,5-b]indolizines as selective PDE4B inhibitors
  作者：Andrew F. Donnell、Paul J. Dollings、John A. Butera、Arlene J. Dietrich、Kerri K. Lipinski、Afshin Ghavami、Warren D. Hirst

  DOI：10.1016/j.bmcl.2010.02.044

  日期：2010.4

  Substituted pyridazino[4,5-b]indolizines were identified as potent and selective PDE4B inhibitors. We describe the structure-activity relationships generated around an HTS hit that led to a series of compounds with low nanomolar affinity for PDE4B and high selectivity over the PDE4D subtype. (C) 2010 Elsevier Ltd. All rights reserved.