N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-4-(((4-(bicyclo[2.2.1]heptan-2-ylainino)-6-((cyclohexylmethyl)amino)-1,3,5-triazin-2-yl)ainino)methyl)benzainide | 767338-49-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-4-(((4-(bicyclo[2.2.1]heptan-2-ylainino)-6-((cyclohexylmethyl)amino)-1,3,5-triazin-2-yl)ainino)methyl)benzainide
• 英文别名: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[[4-(2-bicyclo[2.2.1]heptanylamino)-6-(cyclohexylmethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide
• CAS: 767338-49-8
• 化学式: C₃₁H₄₈N₈O₃
• 分子量: 580.774
• InChiKey: NOFASNQLOPNSRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  42
• 可旋转键数：
  17
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  148
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-(2-(2-氨基乙氧基)乙氧基)乙基氨基甲酸叔丁酯 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三氟乙酸 作用下， 生成 N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-4-(((4-(bicyclo[2.2.1]heptan-2-ylainino)-6-((cyclohexylmethyl)amino)-1,3,5-triazin-2-yl)ainino)methyl)benzainide
  参考文献：
  名称：

  WO2022/235699

  摘要：

  公开号：

文献信息

• MICROARRAYS OF TAGGED COMBINATORIAL TRIAZINE LIBRARIES
  申请人：CHANG Young-Tae

  公开号：US20090286693A1

  公开（公告）日：2009-11-19

  Triazine linkers can be used to prepare universal small molecule chips for functional proteomics and sensors. These triazine linker compounds are prepared by making a first building block by adding a first amine by reductive amination of triazine, making a second building block by adding a second amine to cyanuric chloride, and combining the first and second building blocks by aminating the first building block onto one of the chloride positions of the second building block. These triazine linkers are then linked to a substrate for determining binding affinity of proteins.
• Bi-functional Molecules to Degrade Circulating Proteins
  申请人：YALE UNIVERSITY

  公开号：US20210139436A1

  公开（公告）日：2021-05-13

  The present invention is directed to bi-functional compounds which find use as pharmaceutical agents in the treatment of disease states and/or conditions which are mediated through macrophage migration inhibitory factor (MIF) or immunoglubin G (IgG). The present invention is also directed to pharmaceutical compositions which comprise these bi-functional compounds as well as methods for treating disease states and/or conditions which are mediated through MIF/IgG or where MIF/IgG is a contributing factor to the development and perpetuation of diseases and/or conditions, especially including autoimmune diseases and cancer, among others. The purpose of the present invention is to provide a molecular strategy to lower plasma MIF/IgG level in patients with autoimmune diseases or certain types of cancers. The bi-functional molecule construct is comprised of a MIF/IgG-targeting motif, that is derived from small molecule MIF/IgG ligands, and an ASGPr-targeting motif that binds to hepatocyte asialoglycoprotein receptor (ASGPr). The compounds selectively bind MIF or IgG in plasma and subsequently engage the endo-lysosomal pathway of hepatocytes through ASGPr. As a consequence, MIF/IgG is internalized and degraded by hepatocytes, thus resulting in potential attenuation of corresponding disease symptoms which are modulated through MIF/IgG.