Quinoline-6-carboxylic acid (piperidin-3-ylmethyl)-amide | 861390-19-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: Quinoline-6-carboxylic acid (piperidin-3-ylmethyl)-amide
• 英文别名: N-(piperidin-3-ylmethyl)quinoline-6-carboxamide
• CAS: 861390-19-4
• 化学式: C₁₆H₁₉N₃O
• 分子量: 269.346
• InChiKey: OUJNCMPAHQNYBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  54
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Quinoline-6-carboxylic acid (piperidin-3-ylmethyl)-amide 在 三乙酰氧基硼氢化钠 、 溶剂黄146 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 Quinoline-6-carboxylic acid ([1,4']bipiperidinyl-3-ylmethyl)-amide
  参考文献：
  名称：

  The synthesis of substituted bipiperidine amide compounds as CCR3 ligands: Antagonists versus agonists

  摘要：

  Structure-activity relationship study of bipiperidine amide I has identified the reverse bipiperidine amide 4a as a CC chemokine-3 (CCR3) receptor antagonist. Optimization of the structure-activity relationship of compound 4a has resulted in the identification of a CCR3 antagonist 4i as well as a CCR3 agonist 13. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.054
• 作为产物：
  描述：

  喹啉-6-羧酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 Quinoline-6-carboxylic acid (piperidin-3-ylmethyl)-amide
  参考文献：
  名称：

  The synthesis of substituted bipiperidine amide compounds as CCR3 ligands: Antagonists versus agonists

  摘要：

  Structure-activity relationship study of bipiperidine amide I has identified the reverse bipiperidine amide 4a as a CC chemokine-3 (CCR3) receptor antagonist. Optimization of the structure-activity relationship of compound 4a has resulted in the identification of a CCR3 antagonist 4i as well as a CCR3 agonist 13. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.054

文献信息

• The synthesis of substituted bipiperidine amide compounds as CCR3 ligands: Antagonists versus agonists
  作者：Pauline C. Ting、Shelby P. Umland、Robert Aslanian、Jianhua Cao、Charles G. Garlisi、Ying Huang、James Jakway、Zhidan Liu、Himanshu Shah、Fang Tian、Yuntao Wan、Neng-Yang Shih

  DOI：10.1016/j.bmcl.2005.04.054

  日期：2005.6

  Structure-activity relationship study of bipiperidine amide I has identified the reverse bipiperidine amide 4a as a CC chemokine-3 (CCR3) receptor antagonist. Optimization of the structure-activity relationship of compound 4a has resulted in the identification of a CCR3 antagonist 4i as well as a CCR3 agonist 13. (c) 2005 Elsevier Ltd. All rights reserved.