N-(4-(4-(2,3-dimethylphenyl)piperazin-1-yl)butyl)pyridin-2-amine | 1252617-47-2

• 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: N-(4-(4-(2,3-dimethylphenyl)piperazin-1-yl)butyl)pyridin-2-amine
• 英文别名: N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]pyridin-2-amine
• CAS: 1252617-47-2
• 化学式: C₂₁H₃₀N₄
• 分子量: 338.496
• InChiKey: KAPVOFHRIOYFQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  31.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氯吡啶 、 4-(2,3-dimethylphenyl)-1-piperazinebutanamine 以 neat 为溶剂， 生成 N-(4-(4-(2,3-dimethylphenyl)piperazin-1-yl)butyl)pyridin-2-amine
  参考文献：
  名称：

  Synthesis and evaluation of amides surrogates of dopamine D3 receptor ligands

  摘要：

  Isosteric replacement of the amide function and modulation of the arylpiperazine moiety of known dopamine D3 receptor ligands led to potent and selective compounds. Enhanced bioavailability and preferential brain distribution make compound 6c a good candidate for pharmacological and clinical evaluation. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.096

文献信息

• Synthesis and evaluation of amides surrogates of dopamine D3 receptor ligands
  作者：Mickaël Jean、Jacques Renault、Nicolas Levoin、Denis Danvy、Thierry Calmels、Isabelle Berrebi-Bertrand、Philippe Robert、J.C. Schwartz、J.M. Lecomte、Philippe Uriac、Marc Capet

  DOI：10.1016/j.bmcl.2010.07.096

  日期：2010.9

  Isosteric replacement of the amide function and modulation of the arylpiperazine moiety of known dopamine D3 receptor ligands led to potent and selective compounds. Enhanced bioavailability and preferential brain distribution make compound 6c a good candidate for pharmacological and clinical evaluation. (c) 2010 Elsevier Ltd. All rights reserved.