2-Methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one | 1333491-54-5

• 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: 2-Methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one
• CAS: 1333491-54-5
• 化学式: C₁₈H₂₄N₄O
• 分子量: 312.415
• InChiKey: DBVCIMDUXPHARO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-(4-溴苯甲酰)丙酸 在 selenium(IV) oxide 、 tris-(dibenzylideneacetone)dipalladium(0) 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 sodium t-butanolate 作用下， 以 溶剂黄146 、 异丙醇 、 甲苯 为溶剂， 反应 31.0h， 生成 2-Methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one
  参考文献：
  名称：

  Amine-constrained pyridazinone histamine H3 receptor antagonists

  摘要：

  Pyridazinone 1 was recently reported as a potent H3R antagonist with good drug-like properties and in vivo activity. A series of constrained amine analogs of 1 was synthesized to identify compounds with improved pharmacokinetic profiles. From these efforts, a new class of (S)-2-pyrrolidin-1-ylmethyl-1-pyrrolidinyl amides was identified. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.094

文献信息

• Amine-constrained pyridazinone histamine H3 receptor antagonists
  作者：Babu G. Sundar、Thomas Bailey、Edward Bacon、Lisa Aimone、Zeqi Huang、Jacquelyn Lyons、Rita Raddatz、Robert Hudkins

  DOI：10.1016/j.bmcl.2011.06.094

  日期：2011.9

  Pyridazinone 1 was recently reported as a potent H3R antagonist with good drug-like properties and in vivo activity. A series of constrained amine analogs of 1 was synthesized to identify compounds with improved pharmacokinetic profiles. From these efforts, a new class of (S)-2-pyrrolidin-1-ylmethyl-1-pyrrolidinyl amides was identified. (C) 2011 Elsevier Ltd. All rights reserved.