1-[4-[(cyclohexylmethylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide | 1268467-62-4

• 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: 1-[4-[(cyclohexylmethylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
• CAS: 1268467-62-4
• 化学式: C₂₄H₃₁N₃O
• 分子量: 377.53
• InChiKey: RRJOKUJDATUVCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  58.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,2,3,4-四氢喹啉-6-甲酸 在 氯化亚砜 、 (氯亚甲基)二甲基氯化铵 、 氨 、 palladium diacetate 、 三乙酰氧基硼氢化钠 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 甲苯 为溶剂， 反应 15.0h， 生成 1-[4-[(cyclohexylmethylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
  参考文献：
  名称：

  Tetrahydroquinoline derivatives as opioid receptor antagonists

  摘要：

  Opioid receptors play an important role in both behavioral and homeostatic functions. We herein report tetrahydroquinoline derivatives as opioid receptor antagonists. SAR studies led to the identification of the potent antagonist 2v, endowed with 1.58 nM (K-i) functional activity against the mu opioid receptor. DMPK data suggest that novel tetrahydroquinoline analogs may be advantageous in peripheral applications. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.010

文献信息

• Tetrahydroquinoline derivatives as opioid receptor antagonists
  作者：Cunyu Zhang、Susan M. Westaway、Jason D. Speake、Michael J. Bishop、Aaron S. Goetz、Luz Helena Carballo、Mike Hu、Andrea H. Epperly

  DOI：10.1016/j.bmcl.2010.12.010

  日期：2011.1

  Opioid receptors play an important role in both behavioral and homeostatic functions. We herein report tetrahydroquinoline derivatives as opioid receptor antagonists. SAR studies led to the identification of the potent antagonist 2v, endowed with 1.58 nM (K-i) functional activity against the mu opioid receptor. DMPK data suggest that novel tetrahydroquinoline analogs may be advantageous in peripheral applications. (C) 2010 Elsevier Ltd. All rights reserved.