6-(2-Phenethyl-1,2,3,4-tetrahydroisoquinolin-7-yloxy)nicotinamide | 676499-83-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-(2-Phenethyl-1,2,3,4-tetrahydroisoquinolin-7-yloxy)nicotinamide
• 英文别名: 6-[[2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]pyridine-3-carboxamide
• CAS: 676499-83-5
• 化学式: C₂₃H₂₃N₃O₂
• 分子量: 373.455
• InChiKey: IZPIYLICUYIVEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 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：

  6-(1,2,3,4-Tetrahydro-isoquinolin-7-yloxy)-nicotinamide 、 苯乙醛 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-(2-Phenethyl-1,2,3,4-tetrahydroisoquinolin-7-yloxy)nicotinamide
  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

• Diaryl ethers as opioid receptor antagonist
  申请人：Eli Lilly & Company

  公开号：EP2208727A1

  公开（公告）日：2010-07-21

  A compound of the formula (I) wherein the variables X1 to X10, R1 to R7 including R3', E, v, y, z, A and B are as described, or a pharmaceutically acceptable salt, solvate, enantiomer, racemate, diastereomer or mixtures thereof, useful for the treatment, prevention or amelioration of obesity and Related Diseases is disclosed.

  式 (I) 的化合物 其中变量 X1 至 X10、R1 至 R7（包括 R3'）、E、v、y、z、A 和 B 如上所述，或其药学上可接受的盐、溶液剂、对映体、外消旋体、非对映异构体或混合物，可用于治疗、预防或改善肥胖症及相关疾病。
• 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.