(4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-6-phenylsulfanyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

• 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: (4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-6-phenylsulfanyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
• 化学式: C₂₃H₂₁NO₄S
• 分子量: 407.5
• InChiKey: GUIYURZZMTXCPP-NHHVUSELSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  95.3
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Opiate analogs selective for the delta-opioid receptor
  申请人：Welsh J. William

  公开号：US20070105884A1

  公开（公告）日：2007-05-10

  Novel compounds which selectively bind to the δ-opioid receptor have been designed. These compounds have greater selectivity, improved water (blood) solubility, and enhanced therapeutic value as analgesics. Because agonists with selectivity for the δ-opioid receptor have shown promise in providing enhanced analgesis without the addictive properties, the compounds of the present invention are better than morphine, naltrindole (NTI), spiroindanyloxymorphone (SIOM), and other known μ-opioid receptor selectors as analgesics.
• US7164021B2
  申请人：——

  公开号：US7164021B2

  公开（公告）日：2007-01-16