6-O-[4-O-[bis(2-propenyloxy)phosphynyl]-2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[((11Z)-1-oxo-11-octadecenyl)amino]-β-D-glucopyranosyl]-3-O-decyl-2-deoxy-2-[(1,3-dioxotetradecyl)amino]-α-D-glucopyranose-1-(di-2-propenylphosphate) 4-(2-propenylcarbonate) | 185954-97-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-O-[4-O-[bis(2-propenyloxy)phosphynyl]-2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[((11Z)-1-oxo-11-octadecenyl)amino]-β-D-glucopyranosyl]-3-O-decyl-2-deoxy-2-[(1,3-dioxotetradecyl)amino]-α-D-glucopyranose-1-(di-2-propenylphosphate) 4-(2-propenylcarbonate)
• 英文别名: 6-O-[4-O-[bis(2-propenyloxy)phosphinyl]-2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[[(11Z)-1-oxo-11-octadecenyl]amino]-β-D-glucopyranosyl]-3-O-decyl-2-deoxy-2-[(1,3-dioxotetradecyl)amino]-α-D-glucopyranose 1-(di-2-propenyl phosphate) 4-(2-propenylcarbonate)；[(2R,3S,4R,5R,6R)-6-bis(prop-2-enoxy)phosphoryloxy-2-[[(2R,3R,4R,5S,6R)-5-bis(prop-2-enoxy)phosphoryloxy-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]oxymethyl]-4-decoxy-5-(3-oxotetradecanoylamino)oxan-3-yl] prop-2-enyl carbonate
• CAS: 185954-97-6
• 化学式: C₈₂H₁₄₆N₂O₂₁P₂
• 分子量: 1558.01
• InChiKey: HNLDPHMCAKKQMC-UZJKKWIZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.7
• 重原子数：
  107
• 可旋转键数：
  76
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  265
• 氢给体数：
  2
• 氢受体数：
  21

反应信息

• 作为反应物：
  描述：

  6-O-[4-O-[bis(2-propenyloxy)phosphynyl]-2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[((11Z)-1-oxo-11-octadecenyl)amino]-β-D-glucopyranosyl]-3-O-decyl-2-deoxy-2-[(1,3-dioxotetradecyl)amino]-α-D-glucopyranose-1-(di-2-propenylphosphate) 4-(2-propenylcarbonate) 以74.2的产率得到
  参考文献：
  名称：

  PROCESS FOR PRODUCTION OF LIPID A ANALOGUE

  摘要：

  本发明公开了一种制备α-D-葡萄糖吡喃糖，3-O-癸基-2-脱氧-6-O-[2-脱氧-3-O-[(3R)-3-甲氧基癸基]-6-O-甲基-2-[(11Z)-1-氧代-11-十八碳烯基]氨基]-4-O-膦酸-β-D-葡萄糖吡喃糖-2-[(1,3-二氧代-四十碳基)氨基]-或1-(二氢磷酸)四钠盐的方法，该方法可用作制药活性成分或其合成中间体，具有环保、安全、易操作和重复性优异的特点。一种制备式(I)化合物的方法，包括以下步骤：在核苷酸试剂的存在下，用钯催化剂反应式(VIII)化合物，并用钠源处理产物。

  公开号：

  EP1939209A1
• 作为产物：
  描述：

  6-O-[4-O-[bis(2-propenyloxy)phosphinyl]-2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[[(11Z)-1-oxo-11-octadecenyl]amino]-β-D-glucopyranosyl]-3-O-decyl-2-deoxy-2-[(1,3-dioxotetradecyl)amino]-D-glucopyranose 4-(2-propenylcarbonate) 、 diallyl phosphoramidate 在 diallyl phosphoramidate 作用下， 以83.5的产率得到6-O-[4-O-[bis(2-propenyloxy)phosphynyl]-2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[((11Z)-1-oxo-11-octadecenyl)amino]-β-D-glucopyranosyl]-3-O-decyl-2-deoxy-2-[(1,3-dioxotetradecyl)amino]-α-D-glucopyranose-1-(di-2-propenylphosphate) 4-(2-propenylcarbonate)
  参考文献：
  名称：

  PROCESS FOR PRODUCTION OF LIPID A ANALOGUE

  摘要：

  本发明公开了一种制备α-D-葡萄糖吡喃糖，3-O-癸基-2-脱氧-6-O-[2-脱氧-3-O-[(3R)-3-甲氧基癸基]-6-O-甲基-2-[(11Z)-1-氧代-11-十八碳烯基]氨基]-4-O-膦酸-β-D-葡萄糖吡喃糖-2-[(1,3-二氧代-四十碳基)氨基]-或1-(二氢磷酸)四钠盐的方法，该方法可用作制药活性成分或其合成中间体，具有环保、安全、易操作和重复性优异的特点。一种制备式(I)化合物的方法，包括以下步骤：在核苷酸试剂的存在下，用钯催化剂反应式(VIII)化合物，并用钠源处理产物。

  公开号：

  EP1939209A1

文献信息

• Sodium salt of disaccharide compound, production method and use of same
  申请人：Sakurai Shin

  公开号：US20080227991A1

  公开（公告）日：2008-09-18

  The present invention relates to a sodium salt represented by average formula (I): (wherein, m 1 , n 1 , m 2 and n 2 respectively and independently represent a positive number of 0 0r 2 or less, provided that m 1 +n 1 =2, m 2 +n 2 =2, 0

  本发明涉及一种由平均式(I)表示的钠盐：（其中，m1、n1、m2和n2分别独立地表示00r2或更小的正数，前提是m1+n1=2，m2+n2=2，0
• PROCESS FOR PRODUCTION OF LIPID A ANALOGUE
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1939209A1

  公开（公告）日：2008-07-02

  Discloses is a process for producing α-D-glucopyranose, 3-O-decyl-2-deoxy-6-O-[2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[(11Z)-1-oxo-11-octadecenyl]amino]-4-O-phosphono-β-D-glucopyranosyl]-2-[(1,3-dioxotetradecyl)amino]- or 1-(dihydrogen phosphate) tetrasodium salt which is useful as an active ingredient of a pharmaceutical or an intermediate for the synthesis thereof, which is environment-friendly and excellent in safety, operationality and reproducibility. A process for producing a compound represented by the formula (I) comprising the steps of reacting a compound represented by the formula (VIII) with a palladium catalyst in the presence of a nucleopholic agent and treating the product with a sodium source.

  本发明公开了一种制备α-D-葡萄糖吡喃糖，3-O-癸基-2-脱氧-6-O-[2-脱氧-3-O-[(3R)-3-甲氧基癸基]-6-O-甲基-2-[(11Z)-1-氧代-11-十八碳烯基]氨基]-4-O-膦酸-β-D-葡萄糖吡喃糖-2-[(1,3-二氧代-四十碳基)氨基]-或1-(二氢磷酸)四钠盐的方法，该方法可用作制药活性成分或其合成中间体，具有环保、安全、易操作和重复性优异的特点。一种制备式(I)化合物的方法，包括以下步骤：在核苷酸试剂的存在下，用钯催化剂反应式(VIII)化合物，并用钠源处理产物。
• EP1939209
  申请人：——

  公开号：——

  公开（公告）日：——
• SODIUM SALT OF DISACCHARIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND USE OF THE SAME
  申请人：Sakurai Shin

  公开号：US20100152429A1

  公开（公告）日：2010-06-17

  Disclosed are a sodium salt represented by the average formula (I) below, and a method for producing such a sodium salt. (In the formula, m 1 , n 1 , m 2 and n 2 independently represent 0 or a positive number not greater than 2, while satisfying m 1 +n 1 =2, m 2 +n 2 =2, 0
• REAGENTS AND METHODS FOR PREPARING LPS ANTAGONIST B1287 AND STEREOISOMERS THEREOF
  申请人：Fan RuLin

  公开号：US20110152508A1

  公开（公告）日：2011-06-23

  The present invention provides methods for preparing LPS antagonist lipodisaccharide B1287 and stereoisomers thereof, which compounds are useful as in the prophylactic and affirmative treatment of endotoxemia including sepsis, septicemia and various forms of septic shock. Also provided are synthetic intermediates useful for implementing the inventive methods.