[(3R)-1-hydroxydecan-3-yl] dodecanoate | 581782-29-8

• 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: [(3R)-1-hydroxydecan-3-yl] dodecanoate
• CAS: 581782-29-8
• 化学式: C₂₂H₄₄O₃
• 分子量: 356.59
• InChiKey: XTLOAESOGWIOPC-OAQYLSRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  25
• 可旋转键数：
  20
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  、 [(3R)-1-hydroxydecan-3-yl] dodecanoate 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以58%的产率得到
  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：

  (R)-1-((tert-butyldiphenylsilyl)oxy)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82%的产率得到[(3R)-1-hydroxydecan-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

文献信息

• US7560584B2
  申请人：——

  公开号：US7560584B2

  公开（公告）日：2009-07-14
• Toll-like receptor 2 antagonists. Part 1: Preliminary SAR investigation of novel synthetic phospholipids
  作者：Mark R. Spyvee、Huiming Zhang、Lynn D. Hawkins、Jesse C. Chow

  DOI：10.1016/j.bmcl.2005.08.080

  日期：2005.12

  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.