6-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]pyridine-3-carboxamide | 1000995-43-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 6-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]pyridine-3-carboxamide
• CAS: 1000995-43-6
• 化学式: C₂₂H₂₁N₃O₂
• 分子量: 359.428
• InChiKey: ASROHKXYVRSCOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  68.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  四氢异喹啉 、 6-(4-甲酰基苯氧基)吡啶-3-甲酰胺 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 6-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]pyridine-3-carboxamide
  参考文献：
  名称：

  Structure activity relationship studies of carboxamido-biaryl ethers as opioid receptor antagonists (OpRAs). Part 2

  摘要：

  A series of 6-bicycloaryloxynicotinamides were identified as opioid receptor antagonists at mu, kappa, and delta receptors. Compounds in the 6-(2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide scaffold exhibited potent in vitro functional antagonism at all three receptors. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.025

文献信息

• Structure activity relationship studies of carboxamido-biaryl ethers as opioid receptor antagonists (OpRAs). Part 2
  作者：Kumiko Takeuchi、William G. Holloway、Charles H. Mitch、Steven J. Quimby、Jamie H. McKinzie、Todd M. Suter、Michael A. Statnick、Peggy L. Surface、Paul J. Emmerson、Elizabeth M. Thomas、Miles G. Siegel

  DOI：10.1016/j.bmcl.2007.10.025

  日期：2007.12

  A series of 6-bicycloaryloxynicotinamides were identified as opioid receptor antagonists at mu, kappa, and delta receptors. Compounds in the 6-(2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide scaffold exhibited potent in vitro functional antagonism at all three receptors. (c) 2007 Elsevier Ltd. All rights reserved.