4-(3-chlorophenyl)-N-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)pyridazino[4,5-b]indolizin-1-amine | 1227151-30-5

• 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-chlorophenyl)-N-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)pyridazino[4,5-b]indolizin-1-amine
• 英文别名: 4-(3-chlorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridazino[4,5-b]indolizin-1-amine
• CAS: 1227151-30-5
• 化学式: C₂₇H₂₇ClN₈
• 分子量: 499.018
• InChiKey: JLJJZRMTFDPJJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  74.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-chloro-4-(3-chlorophenyl)pyridazino[4,5-b]indolizine 、 3-(4-嘧啶-2-哌嗪)-1-丙胺 在 氯化铵 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成 4-(3-chlorophenyl)-N-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)pyridazino[4,5-b]indolizin-1-amine
  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.