1-[4-[(2,4-Dimethoxyphenyl)methylamino]piperidin-1-yl]ethanone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[4-[(2,4-Dimethoxyphenyl)methylamino]piperidin-1-yl]ethanone
• 化学式: C₁₄H₂₁N₂O₃Pol
• 分子量: 292.37
• InChiKey: TYNRWHXHHXFWJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[4-[(2,4-Dimethoxyphenyl)methylamino]piperidin-1-yl]ethanone 、 4-氨基-3-甲氧基羰基 苯甲酸 在 1-羟基苯并三唑 、 N,N'-二异丙基碳二亚胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  2-Phenylsubstituted-3-Hydroxyquinolin-4(1H)-one-Carboxamides: Structure-Cytotoxic Activity Relationship Study

  摘要：

  A structure activity relationship of some derivatives of 2-phenylsubstituted-3-hydroxyquinolin-4(1H)-one-7-carboxamides was systematically studied using combinatorial solid-phase synthesis and in vitro cytotoxic activity screening on representative cancer lines. The effect of substituent type in position 2 as well as of the carboxamide group was investigated via synthesis of generic libraries constructed with respect to polarity and bulkiness of appropriate substituents. The process of development afforded a set of compounds with significant cytotoxic activity. Subsequently, corresponding 2-phenylsubstituted-3-hydroxyquinolin-4(1H)-one-6-carboxamides and 2-phenylsubstituted-3-hydroxyquinolin-4(1H)-one-8-carboxamides were prepared to evaluate the influence of the carboxamide group position on the resulting biological activity.

  DOI：

  10.1021/co100013t
• 作为产物：
  描述：

  Methyl 5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate 、 甲胺 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 1-[4-[(2,4-Dimethoxyphenyl)methylamino]piperidin-1-yl]ethanone
  参考文献：
  名称：

  Synthesis of 2-amino-5-benzoyl-4-(2-furyl)thiazoles as adenosine A2A receptor antagonists

  摘要：

  The discovery and synthesis of a series of 2-amino-5-benzoyl-4-(2-furyl)thiazoles as adenosine A(2A) receptor antagonists from a small-molecule combinatorial library using a high-throughput radioligand-binding assay is described. Antagonists were further characterized in the A(2A) binding assay and an A(1) selectivity assay. Selected examples exhibited excellent affinity for A(2A) and good selectivity versus the A(1) receptor. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.066