(S)-2-(2-(2-chlorophenoxy)propyl)-6-(piperazin-1-yl)pyridazin-3(2H)-one | 1194063-07-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (S)-2-(2-(2-chlorophenoxy)propyl)-6-(piperazin-1-yl)pyridazin-3(2H)-one
• 英文别名: 2-[(2S)-2-(2-chlorophenoxy)propyl]-6-piperazin-1-ylpyridazin-3-one
• CAS: 1194063-07-4
• 化学式: C₁₇H₂₁ClN₄O₂
• 分子量: 348.832
• InChiKey: VGKMQFZWILHUCE-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  57.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 以 甲醇 为溶剂， 生成 (S)-2-(2-(2-chlorophenoxy)propyl)-6-(piperazin-1-yl)pyridazin-3(2H)-one
  参考文献：
  名称：

  Design and synthesis of pyridazinone-based 5-HT2C agonists

  摘要：

  The SAR of a series of pyridazinone derived 5-HT2C agonists has been explored and resulted in identification of a compound with excellent levels of 5-HT2C functional agonism and selectivity over 5-HT2A and 5-HT2B. This compound displayed good in vivo efficacy in pre-clinical models of stress urinary incontinence, despite having physiochemical properties commensurate with impaired CNS penetration. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.136

文献信息

• Design and synthesis of pyridazinone-based 5-HT2C agonists
  作者：Charlotte M.N. Allerton、Mark D. Andrews、Julian Blagg、David Ellis、Edel Evrard、Martin P. Green、Kevin K.-C. Liu、Gordon McMurray、Michael Ralph、Vivienne Sanderson、Robin Ward、Lesa Watson

  DOI：10.1016/j.bmcl.2009.07.136

  日期：2009.10

  The SAR of a series of pyridazinone derived 5-HT2C agonists has been explored and resulted in identification of a compound with excellent levels of 5-HT2C functional agonism and selectivity over 5-HT2A and 5-HT2B. This compound displayed good in vivo efficacy in pre-clinical models of stress urinary incontinence, despite having physiochemical properties commensurate with impaired CNS penetration. (C) 2009 Elsevier Ltd. All rights reserved.