3-{[2-(3-{N,N-bis[(N-{2-(2-[2-hydroxy-1-(hydroxymethyl)ethoxy]-1-{[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl}ethoxy)-1-[(2-[2-hydroxy-1-(hydroxymethyl)ethoxy]-1-{[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl}ethoxy)methyl]ethyl}carbamoyl)methyl]carbamoyl}propanoylamino)ethyl]oxyphosphinyl}-2-octadecanoyloxypropyl octadecanoate | 847682-10-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油磷脂
• 英文名称: 3-{[2-(3-{N,N-bis[(N-{2-(2-[2-hydroxy-1-(hydroxymethyl)ethoxy]-1-{[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl}ethoxy)-1-[(2-[2-hydroxy-1-(hydroxymethyl)ethoxy]-1-{[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl}ethoxy)methyl]ethyl}carbamoyl)methyl]carbamoyl}propanoylamino)ethyl]oxyphosphinyl}-2-octadecanoyloxypropyl octadecanoate
• 英文别名: [3-[2-[[4-[Bis[2-[1,3-bis[1,3-bis(1,3-dihydroxypropan-2-yloxy)propan-2-yloxy]propan-2-ylamino]-2-oxoethyl]amino]-4-oxobutanoyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
• CAS: 847682-10-4
• 化学式: C₉₁H₁₇₇N₄O₄₀P
• 分子量: 1998.38
• InChiKey: LSYWPWDUCGCHKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  136
• 可旋转键数：
  105
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  650
• 氢给体数：
  20
• 氢受体数：
  40

反应信息

• 作为产物：
  描述：

  [3-[2-[[4-[Bis[2-[1,3-bis[1,3-bis[(2-phenyl-1,3-dioxan-5-yl)oxy]propan-2-yloxy]propan-2-ylamino]-2-oxoethyl]amino]-4-oxobutanoyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 6.5h， 以79%的产率得到3-{[2-(3-{N,N-bis[(N-{2-(2-[2-hydroxy-1-(hydroxymethyl)ethoxy]-1-{[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl}ethoxy)-1-[(2-[2-hydroxy-1-(hydroxymethyl)ethoxy]-1-{[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl}ethoxy)methyl]ethyl}carbamoyl)methyl]carbamoyl}propanoylamino)ethyl]oxyphosphinyl}-2-octadecanoyloxypropyl octadecanoate
  参考文献：
  名称：

  Improved performance by replacing iminodiacetic residues with glyceryl residues in symmetrically branched oligoglycerols

  摘要：

  Synthesis of a symmetrically branched diglycerol (BGL002, involving one iminodiacetic residue) as a G2 dendron, and the tetradecaglycerol (BGL014, involving one iminodiacetic residue) as a G4 dendron, is described. Several members of the BGL family of G2-G4 dendrons were assembled, with G2 bearing four hydroxyl groups at the terminus region, G3 bearing eight, and G4 bearing sixteen. It is noteworthy that triglycerol (BGL003, including no iminodiacetic residue), has a water-solubility ten times higher than BGL002, and the liposome surrounded by BGL014 has a duration period in blood vessel roughly two times longer than the liposome surrounded by dodecaglycerol (BGL012, including three iminodiacetic residues). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.064

文献信息

• COMPOUND MODIFIED WITH GLYCEROL DERIVATIVE
  申请人：Nemoto Hisao

  公开号：US20100172967A1

  公开（公告）日：2010-07-08

  Objects of the present invention are to provide a compound which is useful as a surface modifier for producing a drug carrier or the like, or a salt thereof; a fine particle comprising the same; and the like. The present invention provides a compound in which a substance to be modified, which is selected from the group consisting of an amphiphilic substance and a hydrophobic substance, is modified with a glycerol derivative represented by the following formula (1): wherein R represents a residue comprising a reactive group for the substance to be modified, which is selected from the group consisting of an amphiphilic substance and a hydrophobic substance or for a spacer capable of binding the substance to be modified, which is selected from the group consisting of an amphiphilic substance and a hydrophobic substance, to R—X, or a group capable of being transformed into the reactive group; n represents an integer of 3 or more; and X represents a residue capable of having the following structure by n in number: directly or via the spacer, or a salt thereof; a fine particle comprising the same; and the like.
• US7696359B2
  申请人：——

  公开号：US7696359B2

  公开（公告）日：2010-04-13