(1S,2S,9R,17R)-18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaene-2,12-diol

• 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: (1S,2S,9R,17R)-18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaene-2,12-diol
• 化学式: C₁₈H₁₉N₃O₃
• 分子量: 325.367
• InChiKey: VGCJASRZUDMBDW-PBZHRCKQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  81.6
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  氢羟吗啡酮 在 三溴化硼 、 一水合肼 作用下， 以 二氯甲烷 、 N,N-二甲基乙酰胺 为溶剂， 生成 (1S,2S,9R,17R)-18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaene-2,12-diol
  参考文献：
  名称：

  Synthesis and opiate receptor binding properties of 17-methyl-6,7-dehydro-3,14-dihydroxy-4,5α-epoxy-6,7:4′,5′-pyrimidinomorphinans

  摘要：

  A class of opioid receptor active derivatives of oxymorphone has been synthesized using a common enaminone intermediate. The derivatives have heterocyclic groups fused to the 6,7-positions of the morphinan system and all were synthesized in high yield. A pyrazolo derivative is an agonist far the mu and 6 receptors and an antagonist for the kappa receptor. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00608-3

文献信息

• Synthesis and opiate receptor binding properties of 17-methyl-6,7-dehydro-3,14-dihydroxy-4,5α-epoxy-6,7:4′,5′-pyrimidinomorphinans
  作者：Wei Xu、Liang-Fu Huang、Ludwig Bauer、Hemendra N. Bhargava、William J. Dunn

  DOI：10.1016/s0960-894x(99)00608-3

  日期：1999.12

  A class of opioid receptor active derivatives of oxymorphone has been synthesized using a common enaminone intermediate. The derivatives have heterocyclic groups fused to the 6,7-positions of the morphinan system and all were synthesized in high yield. A pyrazolo derivative is an agonist far the mu and 6 receptors and an antagonist for the kappa receptor. (C) 1999 Elsevier Science Ltd. All rights reserved.