[2-(hydroxymethyl)-2-[[(2R,4R,5S)-6-(hydroxymethyl)-5-phosphonooxy-3-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxyoxan-2-yl]oxymethyl]-3-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]propoxy]-methylphosphinic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [2-(hydroxymethyl)-2-[[(2R,4R,5S)-6-(hydroxymethyl)-5-phosphonooxy-3-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxyoxan-2-yl]oxymethyl]-3-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]propoxy]-methylphosphinic acid
• 化学式: C₉₆H₁₈₄N₂O₂₁P₂
• 分子量: 1764.4
• InChiKey: WMGFETFIPRWQIF-WLJUZVBESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  29.5
• 重原子数：
  121
• 可旋转键数：
  93
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  336
• 氢给体数：
  7
• 氢受体数：
  21

文献信息

• LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS
  申请人：Jiang Zi-Hua

  公开号：US20120003295A1

  公开（公告）日：2012-01-05

  The core structure of pentaerythritol has been used as a replacement for one or both sugars in lipid A, leading to the generation of a series of lipid A analogs. These lipid A analogs may further differ from lipid A with respect to, e.g., the number, nature and location of negatively charged groups, and the number, nature and location of the lipid chains. The lipid A analogs may be lipid A agonists useful as immunostimulatory agents, or lipid A antagonists useful in the treatment of septic shock. In a like manner, a residue of pentaerythritylamine may be used as a replacement for an amino sugar residue in a carbohydrate ligand having a biological activity of interest, generating a series of ligand analogs. These are useful, e.g., as haptens, inhibitors of bacterial-host cell adhesion, etc.
• MUC1 Based Glycolipopeptide Vaccine with Adjuvant
  申请人：PETERSON Scott

  公开号：US20120219617A1

  公开（公告）日：2012-08-30

  Provided herein are liposomal glycolipopeptidic vaccine formulations comprising an adjuvant and an immunogen for immunotherapy and/or treatment of cancer.
• US7820627B2
  申请人：——

  公开号：US7820627B2

  公开（公告）日：2010-10-26
• US8097593B1
  申请人：——

  公开号：US8097593B1

  公开（公告）日：2012-01-17
• US8889616B2
  申请人：——

  公开号：US8889616B2

  公开（公告）日：2014-11-18