2-(2,6-diethylphenyl)-5-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxy-5,6,7,8-tetrahydroquinoline | 1028330-60-0

• 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: 2-(2,6-diethylphenyl)-5-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxy-5,6,7,8-tetrahydroquinoline
• CAS: 1028330-60-0
• 化学式: C₂₉H₃₃FN₂O
• 分子量: 444.592
• InChiKey: BITMMNNWKLCYEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  25.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  7-氟-1,2,3,4-四氢异喹啉 、 5-氯-2-(2,6-二乙基苯基)-4-甲氧基-5,6,7,8-四氢喹啉 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 2-(2,6-diethylphenyl)-5-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxy-5,6,7,8-tetrahydroquinoline
  参考文献：
  名称：

  Synthesis and characterization of 5,6,7,8-tetrahydroquinoline C5a receptor antagonists

  摘要：

  A novel series of substituted 2-aryl-5-amino-5,6,7,8-tetrahydroquinoline C5a receptor antagonists is reported. Synthetic routes were developed that allow the substituents on the tetrahydroquinoline core to be efficiently varied, facilitating determination of structure-activity relationships. Members of the series display high binding affinity for the C5a receptor and are potent functional antagonists. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.049

文献信息

• Synthesis and characterization of 5,6,7,8-tetrahydroquinoline C5a receptor antagonists
  作者：J. Kent Barbay、Yong Gong、Mieke Buntinx、Jian Li、Concha Claes、Pamela J. Hornby、Guy Van Lommen、Jean Van Wauwe、Wei He

  DOI：10.1016/j.bmcl.2008.03.049

  日期：2008.4

  A novel series of substituted 2-aryl-5-amino-5,6,7,8-tetrahydroquinoline C5a receptor antagonists is reported. Synthetic routes were developed that allow the substituents on the tetrahydroquinoline core to be efficiently varied, facilitating determination of structure-activity relationships. Members of the series display high binding affinity for the C5a receptor and are potent functional antagonists. (c) 2008 Elsevier Ltd. All rights reserved.