5-[2-(2,4-Dimethoxyphenyl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-[2-(2,4-Dimethoxyphenyl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
• 英文别名: 1-(2,4-dimethoxyphenyl)-2-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)ethanone
• 化学式: C23H28NO6+
• 分子量: 414.5
• InChiKey: JNSXOVUZTMHVDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• ANALGESIA WITH MINIMAL TOLERANCE AND DEPENDENCE BY A MU OPIOID RECEPTOR AGONIST THAT ALSO BINDS FILAMIN A
  申请人：Wang Hoau-Yan

  公开号：US20090191579A1

  公开（公告）日：2009-07-30

  A composition and method are disclosed that utilize an isolated polypeptide or analog thereof to inhibit the interaction of a mu-opioid receptor with filamin A. A contemplated polypeptide has an amino acid residue sequence illustrated by the formula: W-[X 1 X 2 X 3 . . . X 43 X 44 X 45 ] n ValAlaX 48 GlyLeu[X 51 X 52 X 53 . . . X 94 X 95 X 96 ] m -Y, wherein the various elements are defined elsewhere. A contemplated method can be used to select a VAKGL-binding compound.
• US8492349B2
  申请人：——

  公开号：US8492349B2

  公开（公告）日：2013-07-23
• [EN] ANALGESIA WITH MINIMAL TOLERANCE AND DEPENDENCE BY A MU OPIOID RECEPTOR AGONIST THAT ALSO BINDS FILAMIN A<br/>[FR] ANALGÉSIE AVEC UNE TOLÉRANCE ET UNE DÉPENDANCE MINIMALES VIS-À-VIS D'UN AGONISTE DU RÉCEPTEUR DE L'OPIOÏDE MU QUI LIE ÉGALEMENT LA FILAMINE A
  申请人：PAIN THERAPEUTICS INC

  公开号：WO2009059225A2

  公开（公告）日：2009-05-07

  A composition and method are disclosed that utilize an isolated polypeptide or analog thereof to inhibit the interaction of a mu-opioid receptor with filamin A. A contemplated polypeptide has an amino acid residue sequence illustrated by the formula: W- [X1X2X3... X43X44X45]nVaIAIaX48GIyLeu[X51X52X53 ... X94X95X96]m-Y, wherein the various elements are defined elsewhere. A contemplated method can be used to select a VAKGL-binding compound.