[(3R)-1-[(2R)-3-[2-[2-[[(2R)-3-[(3R)-3-dodecanoyloxydecoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethoxy-prop-2-enoxyphosphoryl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]decan-3-yl] dodecanoate | 918826-71-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: [(3R)-1-[(2R)-3-[2-[2-[[(2R)-3-[(3R)-3-dodecanoyloxydecoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethoxy-prop-2-enoxyphosphoryl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]decan-3-yl] dodecanoate
• CAS: 918826-71-8
• 化学式: C₇₁H₁₃₆N₄O₁₉P₂
• 分子量: 1411.82
• InChiKey: YEYAVAJBQCCGEX-UFYKBKAHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.3
• 重原子数：
  96
• 可旋转键数：
  72
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  278
• 氢给体数：
  4
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  [(3R)-1-[(2R)-3-[2-[2-[[(2R)-3-[(3R)-3-dodecanoyloxydecoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethoxy-prop-2-enoxyphosphoryl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]decan-3-yl] dodecanoate 在 三氟乙酸 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 5.68h， 生成 [(3R)-1-[(2R)-2-amino-3-[2-[2-[[(2R)-2-amino-3-[(3R)-3-dodecanoyloxydecoxy]propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethoxy-prop-2-enoxyphosphoryl]oxypropoxy]decan-3-yl] dodecanoate
  参考文献：
  名称：

  WO2007/5583

  摘要：

  公开号：
• 作为产物：
  描述：

  [(3R)-1-[(2R)-3-[2-[2-[[(2R)-3-[(3R)-3-dodecanoyloxydecoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-prop-2-enoxyphosphanyl]oxyethylcarbamoylamino]ethoxy-prop-2-enoxyphosphanyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]decan-3-yl] dodecanoate 在 双氧水 作用下， 以 水 、 乙腈 为溶剂， 反应 0.5h， 生成 [(3R)-1-[(2R)-3-[2-[2-[[(2R)-3-[(3R)-3-dodecanoyloxydecoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethoxy-prop-2-enoxyphosphoryl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]decan-3-yl] dodecanoate
  参考文献：
  名称：

  WO2007/5583

  摘要：

  公开号：

文献信息

• COMPOUNDS FOR PREPARING IMMUNOLOGICAL ADJUVANT
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1910387B1

  公开（公告）日：2016-11-16
• Compounds for preparing immunological adjuvant
  申请人：Fang G. Francis

  公开号：US20070082875A1

  公开（公告）日：2007-04-12

  The present invention provides methods for preparing TLR-4 receptor agonist E6020: and stereoisomers thereof, which compounds are useful as an immunological adjuvants when co-administered with antigens such as vaccines for bacterial and viral diseases. Also provided are synthetic intermediates.
• REAGENTS AND METHODS FOR THE BETA-KETO AMIDE SYNTHESIS OF A SYNTHETIC PRECURSOR TO IMMUNOLOGICAL ADJUVANT E6020
  申请人：DeCosta Bruce

  公开号：US20090187038A1

  公开（公告）日：2009-07-23

  This invention relates to the synthesis for a precursor of E6020, compound 26, via a β-keto amide alcohol intermediate, compound 22. The synthesis reacts compound 22 with compound 25 and the resultant intermediate is oxidized to produce compound 26, the precursor to E6020. Compounds 22 and 25, and their crystalline forms, represent separate embodiments of the invention. The invention also relates to compounds of formulas (3) and (4) and processes for their preparation. The β-keto amide alcohol intermediate compound 22 is a compound of formula (3). Compound 25 is a compound of formula (4).
• US7683200B2
  申请人：——

  公开号：US7683200B2

  公开（公告）日：2010-03-23
• US7919643B2
  申请人：——

  公开号：US7919643B2

  公开（公告）日：2011-04-05