N-[(E,2S,3R)-1-[(2R,4R,5S)-3,4-dihydroxy-5-[(2S,4R,5S)-3-hydroxy-5-[(2S,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3-methyl-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(4R,5R)-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyicos-4-en-2-yl]hexadecanamide

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 鞘脂
• 英文名称: N-[(E,2S,3R)-1-[(2R,4R,5S)-3,4-dihydroxy-5-[(2S,4R,5S)-3-hydroxy-5-[(2S,4R,5R)-5-hydroxy-6-(hydroxymethyl)-3-methyl-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(4R,5R)-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyicos-4-en-2-yl]hexadecanamide
• 化学式: C₇₀H₁₂₉NO₂₇
• 分子量: 1416.8
• InChiKey: CMBJNCQWSWMYTC-UVWKAPEASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  98
• 可旋转键数：
  49
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  445
• 氢给体数：
  17
• 氢受体数：
  27

文献信息

• TREATMENT OF PARKINSONS DISEASE WITH GLYCOLIPIDS
  申请人：Rutgers, The State University of New Jersey

  公开号：US20140187507A1

  公开（公告）日：2014-07-03

  This invention provides compounds, compositions, and methods for treating Parkinson's disease. In particular, there is provided GM1 ganglioside analogs that are capable of penetrating the blood brain barrier and entering the cytoplasm of neurons. Endogenous GM1 interacts with the with GFRα1/RET, the GDNF receptor complex involved in GDNF signaling which is essential for neuron survival. In neurons that are deficient in endogenous GM1, the GM1 analog compounds of the invention are capable of restoring GDNF signaling thereby preventing neuron cell death.