(S)-1-((R)-3-hydroxy-2-tetradecanamidopropoxy)decan-3-yl dodecanoate | 872209-90-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (S)-1-((R)-3-hydroxy-2-tetradecanamidopropoxy)decan-3-yl dodecanoate
• CAS: 872209-90-0
• 化学式: C₃₉H₇₇NO₅
• 分子量: 640.044
• InChiKey: PNWDBNXCCCZGCF-AARKOHAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.76
• 重原子数：
  45.0
• 可旋转键数：
  36.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  84.86
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  tert-Butyl (2-(((allyloxy)(diisopropylamino)phosphino)oxy)ethyl)carbamate 、 (S)-1-((R)-3-hydroxy-2-tetradecanamidopropoxy)decan-3-yl dodecanoate 在 溶剂黄146 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Toll-like receptor 2 antagonists. Part 1: Preliminary SAR investigation of novel synthetic phospholipids

  摘要：

  Novel synthetic phospholipid compound I was discovered to be an antagonist of human toll-like receptor 2 (TLR2) signaling. In a preliminary SAR campaign we synthesized several analogues of 1 and found that considerable structural changes could be made without loss of TLR2 antagonistic activity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.080
• 作为产物：
  描述：

  (S)-1-((S)-3-((tert-butyldiphenylsilyl)oxy)-2-tetradecanamidopropoxy)decan-3-yl dodecanoate 在 四丁基氟化铵 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 以94%的产率得到(S)-1-((R)-3-hydroxy-2-tetradecanamidopropoxy)decan-3-yl dodecanoate
  参考文献：
  名称：

  Toll-like receptor 2 antagonists. Part 1: Preliminary SAR investigation of novel synthetic phospholipids

  摘要：

  Novel synthetic phospholipid compound I was discovered to be an antagonist of human toll-like receptor 2 (TLR2) signaling. In a preliminary SAR campaign we synthesized several analogues of 1 and found that considerable structural changes could be made without loss of TLR2 antagonistic activity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.080