Ditert-butyl 4-[[3-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]carbamoyl]-5-nitrobenzoyl]amino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate | 263843-49-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Ditert-butyl 4-[[3-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]carbamoyl]-5-nitrobenzoyl]amino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate
• CAS: 263843-49-8
• 化学式: C₅₂H₈₃N₃O₁₆
• 分子量: 1006.24
• InChiKey: QYALJYQDCFHXQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  71
• 可旋转键数：
  34
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  262
• 氢给体数：
  2
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  Ditert-butyl 4-[[3-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]carbamoyl]-5-nitrobenzoyl]amino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate 在 T-1 Raney Ni 氢气 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、344.74 kPa 条件下， 反应 48.0h， 以89%的产率得到Ditert-butyl 4-[[3-amino-5-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]carbamoyl]benzoyl]amino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate
  参考文献：
  名称：

  Iron Binding Dendrimers:  A Novel Approach for the Treatment of Haemochromatosis

  摘要：

  A range of iron binding dendrimers terminated with hexadentate ligands formed from hydroxypyridinone, hydroxypyranone, and catechol moieties have been synthesized in order to investigate their potential as clinically useful iron(III)-selective chelators capable of removing dietary iron from the gastrointestinal tract and preventing the development of iron overload typical of haemochromatosis and thalassaemia intermedia. The iron chelating abilities of these molecules have been characterized by MALDI-TOF mass spectrometry and UV spectrometry. Hydroxypyridinone-terminated dendrimers were found to possess a high affinity and selectivity for iron(III). A hydroxypyridinone-based dendrimer was demonstrated to be highly efficient at reducing the absorption of iron(III) in rat intestine. This family of dendrimers may find an application in the treatment of iron overload.

  DOI：

  10.1021/jm0600949
• 作为产物：
  描述：

  5-硝基异酞酸 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 Ditert-butyl 4-[[3-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]carbamoyl]-5-nitrobenzoyl]amino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate
  参考文献：
  名称：

  Iron Binding Dendrimers:  A Novel Approach for the Treatment of Haemochromatosis

  摘要：

  A range of iron binding dendrimers terminated with hexadentate ligands formed from hydroxypyridinone, hydroxypyranone, and catechol moieties have been synthesized in order to investigate their potential as clinically useful iron(III)-selective chelators capable of removing dietary iron from the gastrointestinal tract and preventing the development of iron overload typical of haemochromatosis and thalassaemia intermedia. The iron chelating abilities of these molecules have been characterized by MALDI-TOF mass spectrometry and UV spectrometry. Hydroxypyridinone-terminated dendrimers were found to possess a high affinity and selectivity for iron(III). A hydroxypyridinone-based dendrimer was demonstrated to be highly efficient at reducing the absorption of iron(III) in rat intestine. This family of dendrimers may find an application in the treatment of iron overload.

  DOI：

  10.1021/jm0600949

文献信息

• Electroactive, Internal Anthraquinonoid Dendritic Cores¹
  作者：George R. Newkome、Venkatraj V. Narayanan、Luis A. Godínez

  DOI：10.1021/jo991278g

  日期：2000.3.1

  modification of the extended 1 --> 3 anthraquinonoid monomer 1 by substitution of the central aliphatic moiety with a more rigid, aromatic moiety has allowed the syntheses of the new branched building block 6 possessing multiple, internal redox sites. This monomer was used to generate the first tier, dendritic macromolecules 8 and 9, which incorporate different internal redox centers within the infrastructure

  通过用更刚性的芳族部分取代中心的脂肪族部分来修饰扩展的1-> 3蒽醌单体1，可以合成具有多个内部氧化还原位点的新支链结构单元6。该单体用于生成第一级树枝状大分子8和9，它们在基础结构中结合了不同的内部氧化还原中心以及传统的外围多功能功能。使用循环伏安法实验，探索了这些树突结构的两个电活性位点（蒽醌类和硝基芳族部分）之间的电化学响应和电子相互作用。
• Iron Binding Dendrimers:  A Novel Approach for the Treatment of Haemochromatosis
  作者：Tao Zhou、Hendrik Neubert、Ding Yong Liu、Zu Dong Liu、Yong Min Ma、Xiao Le Kong、Wei Luo、Sykes Mark、Robert C. Hider

  DOI：10.1021/jm0600949

  日期：2006.7.1

  A range of iron binding dendrimers terminated with hexadentate ligands formed from hydroxypyridinone, hydroxypyranone, and catechol moieties have been synthesized in order to investigate their potential as clinically useful iron(III)-selective chelators capable of removing dietary iron from the gastrointestinal tract and preventing the development of iron overload typical of haemochromatosis and thalassaemia intermedia. The iron chelating abilities of these molecules have been characterized by MALDI-TOF mass spectrometry and UV spectrometry. Hydroxypyridinone-terminated dendrimers were found to possess a high affinity and selectivity for iron(III). A hydroxypyridinone-based dendrimer was demonstrated to be highly efficient at reducing the absorption of iron(III) in rat intestine. This family of dendrimers may find an application in the treatment of iron overload.