钙(2+)12-羟基十八烷酸酯 | 84800-62-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 中文名称: 钙(2+)12-羟基十八烷酸酯
• 英文名称: β-oxymorphamine
• 英文别名: Oxymorphamine；(4R,4aS,7aR,12bS)-7-amino-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
• CAS: 84800-62-4
• 化学式: C₁₇H₂₂N₂O₃
• 分子量: 302.373
• InChiKey: KMVAXAKRXABEMD-RPCBQCAJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  79
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  钙(2+)12-羟基十八烷酸酯 以64%的产率得到
  参考文献：
  名称：

  BOTROS, S.;LIPKOWSKI, A. W.;LARSON, D. L.;STARK, P. A.;TAKEMORI, A. E.;PO+, J. MED. CHEM., 32,(1989) N, C. 2068-2071

  摘要：

  DOI：

文献信息

• Opioid agonist and antagonist activities of peripherally selective derivatives of naltrexamine and oxymorphamine
  作者：S. Botros、A. W. Lipkowski、D. L. Larson、P. A. Stark、A. E. Takemori、Phillip S. Portoghese

  DOI：10.1021/jm00129a009

  日期：1989.9

  A series of beta-naltrexamine and beta-oxymorphamine derivatives that contain ionizable moieties coupled to the 6 beta-amino group were synthesized in an effort to develop antagonists and agonists that have negligible access into the central nervous system (CNS). Among the beta-naltrexamine derivatives 1-7, all displayed partial agonism on the guinea pig ileal longitudinal muscle preparation except for aspartyl derivative 6, which was a full agonist with activity in the range of morphine. The beta-oxymorphamine derivatives 8-12 were all full agonists with potencies ranging from 1.5 to 6.1 times that of morphine. Among the compounds evaluated in mice for antinociceptive or opioid antagonist activities, aspartyl derivative 6 possessed the greatest difference between peripheral (po or iv) and icv equiactive antagonist doses. Compared to naltrexone, 6 was greater than 100 times more potent by the icv route, but 6000-10,000 times less potent when administered po or icv. The present study suggests that zwitterionic groups are highly effective in preventing penetration of ligands into the CNS. Such ligands may be useful pharmacologic tools for investigation of peripheral opioid mechanisms. Moreover, they could find clinical applications when the central actions are unwanted.
• BOTROS, S.;LIPKOWSKI, A. W.;LARSON, D. L.;STARK, P. A.;TAKEMORI, A. E.;PO+, J. MED. CHEM., 32,(1989) N, C. 2068-2071
  作者：BOTROS, S.、LIPKOWSKI, A. W.、LARSON, D. L.、STARK, P. A.、TAKEMORI, A. E.、PO+

  DOI：——

  日期：——