9-[1-(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]-1-[4-[2-[3-[2-[4-[9-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]nonanoyl]piperazin-1-yl]-2-oxoethoxy]-2-(3-piperidin-1-ium-1-ylidene-6-piperidin-1-ylxanthen-9-yl)phenoxy]acetyl]piperazin-1-yl]nonan-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 9-[1-(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]-1-[4-[2-[3-[2-[4-[9-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]nonanoyl]piperazin-1-yl]-2-oxoethoxy]-2-(3-piperidin-1-ium-1-ylidene-6-piperidin-1-ylxanthen-9-yl)phenoxy]acetyl]piperazin-1-yl]nonan-1-one
• 英文别名: 9-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]-1-[4-[2-[3-[2-[4-[9-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]nonanoyl]piperazin-1-yl]-2-oxoethoxy]-2-(3-piperidin-1-ium-1-ylidene-6-piperidin-1-ylxanthen-9-yl)phenoxy]acetyl]piperazin-1-yl]nonan-1-one
• 化学式: C81H119N14O9+
• 分子量: 1432.9
• InChiKey: SSWVMFUXZFIILV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  104
• 可旋转键数：
  28
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  224
• 氢给体数：
  2
• 氢受体数：
  16

文献信息

• [EN] NOVEL PROBES AND TARGETING COMOUNDS FOR MITOCHONDRIA<br/>[FR] NOUVELLES SONDES ET COMPOSÉS DE CIBLAGE DES MITOCHONDRIES
  申请人：UNIV MICHIGAN TECH

  公开号：WO2014063033A2

  公开（公告）日：2014-04-24

  The present invention provides novel compounds which are fluorescent and target the mitochondria and methods of using them.