(1R,2S,13R,21R)-2-ethoxy-13,22-dimethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-16-ol

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 吗啡烷
• 英文名称: (1R,2S,13R,21R)-2-ethoxy-13,22-dimethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-16-ol
• 化学式: C₂₆H₂₈N₂O₃
• 分子量: 416.52
• InChiKey: SHXTYPBRXDOEOV-IFKAHUTRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  57.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯肼,盐酸盐 、 14-乙氧基美托酮 以 溶剂黄146 为溶剂， 反应 7.0h， 生成 (1R,2S,13R,21R)-2-ethoxy-13,22-dimethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-16-ol
  参考文献：
  名称：

  Synthesis and biological evaluation of 14-alkoxymorphinans. 14.1 14-ethoxy-5-methyl substituted indolomorphinans with δ opioid receptor selectivity

  摘要：

  The 5-methyl and 14-ethoxy substituted analogues (compounds 2-4) of the delta opioid receptor antagonist naltrindole showed similar selectivity when compared with the reference drug. Compound 2 was a delta receptor antagonist in the mouse vas deferens preparation (MVD) exhibiting considerably higher selectivity ratios than naltrindole, while compound 4 was found to be a full and potent delta receptor agonist in the MVD. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(96)00599-9