4-O-[2-(azidomethyl)-2-[[4-[[5-(azidomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-4-oxobutanoyl]oxymethyl]-3-[4-[2,2-bis[[4-[2-(azidomethyl)-3-[4-[[5-(azidomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-4-oxobutanoyl]oxy-2-[[4-[[5-(azidomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-4-oxobutanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]butoxy]-4-oxobutanoyl]oxypropyl] 1-O-[[5-(azidomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methyl] butanedioate | 1158602-88-0

• 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: 4-O-[2-(azidomethyl)-2-[[4-[[5-(azidomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-4-oxobutanoyl]oxymethyl]-3-[4-[2,2-bis[[4-[2-(azidomethyl)-3-[4-[[5-(azidomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-4-oxobutanoyl]oxy-2-[[4-[[5-(azidomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-4-oxobutanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]butoxy]-4-oxobutanoyl]oxypropyl] 1-O-[[5-(azidomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methyl] butanedioate
• CAS: 1158602-88-0
• 化学式: C₁₀₅H₁₅₅N₂₇O₄₈
• 分子量: 2563.54
• InChiKey: ZTHSVKCOWKPEFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  180
• 可旋转键数：
  100
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  713
• 氢给体数：
  0
• 氢受体数：
  66

反应信息

• 作为反应物：
  描述：

  4-O-[2-(azidomethyl)-2-[[4-[[5-(azidomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-4-oxobutanoyl]oxymethyl]-3-[4-[2,2-bis[[4-[2-(azidomethyl)-3-[4-[[5-(azidomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-4-oxobutanoyl]oxy-2-[[4-[[5-(azidomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-4-oxobutanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]butoxy]-4-oxobutanoyl]oxypropyl] 1-O-[[5-(azidomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methyl] butanedioate 在 DOWEX 50W-X₂ 作用下， 以 甲醇 为溶剂， 以97%的产率得到4-O-[2-(azidomethyl)-3-[4-[2-(azidomethyl)-3-hydroxy-2-(hydroxymethyl)propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-hydroxy-2-(hydroxymethyl)propoxy]-4-oxobutanoyl]oxymethyl]propyl] 1-O-[2,2-bis[[4-[2-(azidomethyl)-3-[4-[2-(azidomethyl)-3-hydroxy-2-(hydroxymethyl)propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-hydroxy-2-(hydroxymethyl)propoxy]-4-oxobutanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]butyl] butanedioate
  参考文献：
  名称：

  双功能树状聚合物：从稳健的合成和加速的一锅后功能化策略到潜在的应用

  摘要：

  第四轮：利用良性合成方案构建两组具有内部乙炔/叠氮化物和外部羟基的双功能AB 2 C树状聚合物。成功地进行了原位后功能化策略，以说明这些树状聚合物的化学选择性性质。树枝状聚合物也被转化成树枝状纳米颗粒或被用作制备水凝胶的树枝状交联剂。

  DOI：

  10.1002/anie.200804987
• 作为产物：
  描述：

  4-[[5-(Azidomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-4-oxobutanoic acid 、 4-O-[2-(azidomethyl)-3-hydroxy-2-(hydroxymethyl)propyl] 1-O-[2,2-bis[[4-[2-(azidomethyl)-3-hydroxy-2-(hydroxymethyl)propoxy]-4-oxobutanoyl]oxymethyl]butyl] butanedioate 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 、 DPTS 作用下， 以 二氯甲烷 为溶剂， 以85%的产率得到4-O-[2-(azidomethyl)-2-[[4-[[5-(azidomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-4-oxobutanoyl]oxymethyl]-3-[4-[2,2-bis[[4-[2-(azidomethyl)-3-[4-[[5-(azidomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-4-oxobutanoyl]oxy-2-[[4-[[5-(azidomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-4-oxobutanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]butoxy]-4-oxobutanoyl]oxypropyl] 1-O-[[5-(azidomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methyl] butanedioate
  参考文献：
  名称：

  双功能树状聚合物：从稳健的合成和加速的一锅后功能化策略到潜在的应用

  摘要：

  第四轮：利用良性合成方案构建两组具有内部乙炔/叠氮化物和外部羟基的双功能AB 2 C树状聚合物。成功地进行了原位后功能化策略，以说明这些树状聚合物的化学选择性性质。树枝状聚合物也被转化成树枝状纳米颗粒或被用作制备水凝胶的树枝状交联剂。

  DOI：

  10.1002/anie.200804987

文献信息

• Peptide-based multimeric targeted contrast agents
  申请人：Zhang Zhaoda

  公开号：US20060039861A1

  公开（公告）日：2006-02-23

  Peptides and peptide-targeted multimeric contrast agents are described, as well as methods of making and using the contrast agents.

  本文描述了肽和肽靶向多聚对比剂，以及制备和使用对比剂的方法。
• DENDRIMERS WITH INTERIOR AND EXTERIOR FUNCTIONALITIES COMPRISING OF AZIDE OR ALKYNE GROUPS FOR POST-FUNCTIONALIZATION BY THE HUISGEN CLICK CYCLOADDITION
  申请人：Hult Anders

  公开号：US20110052696A1

  公开（公告）日：2011-03-03

  A dendritic structure includes a core and repeating units, wherein the repeating units comprise units of the type AB x C y , wherein x is 2, 3, or 4, wherein y is 1, 2, or 3, wherein C is selected from the group consisting of azides and alkynes, and wherein every repeating unit is bound to at least one other unit with at least one bond selected from the group consisting of the group consisting of an ester, an amide, a thioether, an ether, a urethane, an amine, and an imine. Advantages include that a “one-pot” growth of the dendritic structure is possible. It is possible to have more functional groups in a dendritic structure. It is possible to add different functional groups simultaneously both to an inner layer and to an outer layer in a dendritic structure.
• DENDRIMERS WITH INTERIOR AND EXTERIOR FUNCTIONALITIES COMPRISING OF AZIDE OR ALKYNE GROUPS FOR POST-FUNCTIONALIZATION BY HUISGEN CLICK CYCLOADDITION
  申请人：POLYMER FACTORY SWEDEN AB

  公开号：US20140024815A1

  公开（公告）日：2014-01-23

  A dendritic structure includes a core and repeating units, wherein the repeating units comprise units of the type AB x C y , wherein x is 2, 3, or 4, wherein y is 1, 2, or 3, wherein C is selected from the group consisting of azides and alkynes, and wherein every repeating unit is bound to at least one other unit with at least one bond selected from the group consisting of the group consisting of an ester, an amide, a thioether, an ether, a urethane, an amine, and an imine. Advantages include that a “one-pot” growth of the dendritic structure is possible. It is possible to have more functional groups in a dendritic structure. It is possible to add different functional groups simultaneously both to an inner layer and to an outer layer in a dendritic structure.
• [EN] SPIRO-CONTAINING COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS<br/>[FR] COMPOSES ET COMPOSITIONS SPIRO EN TANT QUE MODULATEURS DES RECEPTEURS NUCLEAIRES DES HORMONES STEROIDES
  申请人：IRM LLC

  公开号：WO2006104594A2

  公开（公告）日：2006-10-05

  [EN] Described herein are compounds that have a spiro structural feature. Also described herein are methods for making such compounds, methods for using such compounds to modulate the activity of steroid hormone nuclear receptors, and pharmaceutical compositions and medicaments comprising such compounds. Also described herein are methods of using such compounds, pharmaceutical compositions and medicaments to treat and/or prevent diseases or conditions associated with the activity of steroid hormone nuclear receptors.
  [FR] La présente invention a trait à des composés présentant une élément structurel spiro. L'invention a également trait à des procédés pour la production de tels composés, à des procédés d'utilisation de tels composés pour la modulation de l'activité des récepteurs nucléaires des hormones stéroïdes, et à des compositions pharmaceutiques et des médicaments comportant de tels composés. L'invention a trait en outre à des procédés d'utilisation de tels composés, compositions pharmaceutiques et médicaments pour le traitement et/ou la prévention de maladies ou conditions associées à l'activité des récepteurs nucléaires des hormones stéroïdes.
• Bifunctional Dendrimers: From Robust Synthesis and Accelerated One-Pot Postfunctionalization Strategy to Potential Applications
  作者：Per Antoni、Yvonne Hed、Axel Nordberg、Daniel Nyström、Hans von Holst、Anders Hult、Michael Malkoch

  DOI：10.1002/anie.200804987

  日期：2009.3.9

  A fourth wheel: Two sets of bifunctional AB2C dendrimers having internal acetylene/azides and external hydroxy groups were constructed utilizing benign synthetic protocols. An in situ postfunctionalization strategy was successfully carried out to illustrate the chemoselective nature of these dendrimers. The dendrimers were also transformed into dendritic nanoparticles or utilized as dendritic crosslinkers

  第四轮：利用良性合成方案构建两组具有内部乙炔/叠氮化物和外部羟基的双功能AB 2 C树状聚合物。成功地进行了原位后功能化策略，以说明这些树状聚合物的化学选择性性质。树枝状聚合物也被转化成树枝状纳米颗粒或被用作制备水凝胶的树枝状交联剂。