N,N-Bis[2-[4-oxo-4-[bis[2-(trifluoroacetylamino)ethyl]amino]butyrylamino]ethyl]-6-(benzyloxycarbonylamino)hexanamide | 869531-63-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N-Bis[2-[4-oxo-4-[bis[2-(trifluoroacetylamino)ethyl]amino]butyrylamino]ethyl]-6-(benzyloxycarbonylamino)hexanamide
• 英文别名: benzyl N-[6-[bis[2-[[4-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]-4-oxobutanoyl]amino]ethyl]amino]-6-oxohexyl]carbamate
• CAS: 869531-63-5
• 化学式: C₄₂H₅₆F₁₂N₁₀O₁₁
• 分子量: 1104.95
• InChiKey: AOOAPYMWVQKRNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  75
• 可旋转键数：
  33
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  274
• 氢给体数：
  7
• 氢受体数：
  23

反应信息

• 作为反应物：
  描述：

  N,N-Bis[2-[4-oxo-4-[bis[2-(trifluoroacetylamino)ethyl]amino]butyrylamino]ethyl]-6-(benzyloxycarbonylamino)hexanamide 在 sodium carbonate 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  Dendrimeric Molecular Transporters:  Synthesis and Evaluation of Tunable Polyguanidino Dendrimers That Facilitate Cellular Uptake

  摘要：

  [GRAPHICS]Nine fluorescently labeled structurally varied polyguanidino dendrimers based on diamino acid monomeric units were individually synthesized in an efficient, scalable sequence using a trifluoroacetamide protecting group-perguanidinylation strategy. While the dendrimers varied significantly in their ability to enter a human lymphocyte cell line, the best transporters out-performed an oligoarginine reference standard.

  DOI：

  10.1021/ol051496y
• 作为产物：
  描述：

  N-苄氧羰基--6-氨基己酸 在 N-甲基吗啉 、 水 、 sodium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 57.5h， 生成 N,N-Bis[2-[4-oxo-4-[bis[2-(trifluoroacetylamino)ethyl]amino]butyrylamino]ethyl]-6-(benzyloxycarbonylamino)hexanamide
  参考文献：
  名称：

  Dendrimeric Molecular Transporters:  Synthesis and Evaluation of Tunable Polyguanidino Dendrimers That Facilitate Cellular Uptake

  摘要：

  [GRAPHICS]Nine fluorescently labeled structurally varied polyguanidino dendrimers based on diamino acid monomeric units were individually synthesized in an efficient, scalable sequence using a trifluoroacetamide protecting group-perguanidinylation strategy. While the dendrimers varied significantly in their ability to enter a human lymphocyte cell line, the best transporters out-performed an oligoarginine reference standard.

  DOI：

  10.1021/ol051496y

文献信息

• CYCLIC-GLUR6 ANALOGS, METHODS OF TREATMENT AND USE
  申请人：Spaller Mark

  公开号：US20120220535A1

  公开（公告）日：2012-08-30

  A composition which is reversible inhibitor of at least one neuron-specific PDZ domain comprising wherein R is a molecular transporter with or without a linker amino acid; R 1 is at least about one amino acid covalently bound; and, R 2 is isoleucine, leucine, alanine, phenylalanine, or valine, and methods of use.
• US9403876B2
  申请人：——

  公开号：US9403876B2

  公开（公告）日：2016-08-02
• [EN] CYCLIC-GLUR6 ANALOGS, METHODS OF TREATMENT AND USE<br/>[FR] ANALOGUES DE GLUR6 CYCLIQUE, PROCÉDÉS DE TRAITEMENT ET D'UTILISATION
  申请人：UNIV BROWN

  公开号：WO2010135277A2

  公开（公告）日：2010-11-25

  A composition which is reversible inhibitor of at least one neuron-specific PDZ domain comprising wherein structure (5), R is a molecular transporter with or without a linker amino acid; R1 is at least about one amino acid covalently bound; and, R2 is isoleucine, leucine, alanine, phenylalanine, or valine, and methods of use.
• Dendrimeric Molecular Transporters:  Synthesis and Evaluation of Tunable Polyguanidino Dendrimers That Facilitate Cellular Uptake
  作者：Paul A. Wender、Erik Kreider、Erin T. Pelkey、Jonathan Rothbard、Christopher L. VanDeusen

  DOI：10.1021/ol051496y

  日期：2005.10.1

  [GRAPHICS]Nine fluorescently labeled structurally varied polyguanidino dendrimers based on diamino acid monomeric units were individually synthesized in an efficient, scalable sequence using a trifluoroacetamide protecting group-perguanidinylation strategy. While the dendrimers varied significantly in their ability to enter a human lymphocyte cell line, the best transporters out-performed an oligoarginine reference standard.