Ethyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]benzenecarboximidate;hydrochloride | 1236349-64-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: Ethyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]benzenecarboximidate;hydrochloride
• CAS: 1236349-64-6
• 化学式: C₂₃H₂₆N₂O₆*ClH
• 分子量: 462.93
• InChiKey: SXKAHRHCPDURFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.18
• 重原子数：
  32
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  98.2
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(3,4-diaminophenyl)-6-(1-methyl-4-piperazinyl)benzimidazole 、 Ethyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]benzenecarboximidate;hydrochloride 在 溶剂黄146 作用下， 反应 15.0h， 以38.9%的产率得到2-(2-(2-(2-(4-(5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzo[d]imidazol-2'-yl)phenoxy)ethoxy)ethoxy)ethyl)isoindoline-1,3-dione
  参考文献：
  名称：

  Hoechst-IR: An Imaging Agent That Detects Necrotic Tissue in Vivo by Binding Extracellular DNA

  摘要：

  Cell necrosis is central to the progression of numerous diseases, and imaging agents that can detect necrotic tissue have great clinical potential. We demonstrate here that a small molecule, termed Hoechst-IR, composed of the DNA binding dye Hoechst and the near-infrared dye IR-786, can image necrotic tissue in vivo via fluorescence imaging. Hoechst-IR detects necrosis by binding extracellular DNA released from necrotic cells and was able to image necrosis generated from a myocardial infarction and lipopolysaccharide/D-galactosamine (LPS-GalN) induced sepsis.

  DOI：

  10.1021/ol100923d
• 作为产物：
  描述：

  乙醇 、 4-(2-(2-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)ethoxy)ethoxy)benzonitrile 在 盐酸 作用下， 反应 0.5h， 生成 Ethyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]benzenecarboximidate;hydrochloride
  参考文献：
  名称：

  Hoechst-IR: An Imaging Agent That Detects Necrotic Tissue in Vivo by Binding Extracellular DNA

  摘要：

  Cell necrosis is central to the progression of numerous diseases, and imaging agents that can detect necrotic tissue have great clinical potential. We demonstrate here that a small molecule, termed Hoechst-IR, composed of the DNA binding dye Hoechst and the near-infrared dye IR-786, can image necrotic tissue in vivo via fluorescence imaging. Hoechst-IR detects necrosis by binding extracellular DNA released from necrotic cells and was able to image necrosis generated from a myocardial infarction and lipopolysaccharide/D-galactosamine (LPS-GalN) induced sepsis.

  DOI：

  10.1021/ol100923d

文献信息

• [EN] METHODS AND COMPOSITIONS FOR IMPROVED DELIVERY OF THERAPEUTIC AND DIAGNOSTIC AGENTS<br/>[FR] PROCÉDÉS ET COMPOSITIONS POUR ADMINISTRATION AMÉLIORÉE D'AGENTS THÉRAPEUTIQUES ET DE DIAGNOSTIC
  申请人：GEORGIA TECH RES INST

  公开号：WO2011008985A2

  公开（公告）日：2011-01-20

  Among other things, this disclosure provides for compounds having a targeting moiety linked to a therapeutic moiety and/or a diagnostic moiety; the synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and, methods for treating or diagnosing disorders. Some of the compounds include a linker which can be cleaved under physiological conditions, including linkers comprising an amide or disulfide bond. Examples of targeting moieties are derivatives of DNA binding agents, which may comprise derivatives of Hoechst 33258. Examples of therapeutic moieties are compounds useful for treating a cancer, which may comprise derivatives of nucleotides and nucleosides such as gemcitabine. This abstract is intended to be used as a scanning tool for the purposes of searching in the particular art and is not intended to limiting of the present disclosure.
• Hoechst-IR: An Imaging Agent That Detects Necrotic Tissue in Vivo by Binding Extracellular DNA
  作者：Madhuri Dasari、Sungmun Lee、Jay Sy、Dongin Kim、Seungjun Lee、Milton Brown、Michael Davis、Niren Murthy

  DOI：10.1021/ol100923d

  日期：2010.8.6

  Cell necrosis is central to the progression of numerous diseases, and imaging agents that can detect necrotic tissue have great clinical potential. We demonstrate here that a small molecule, termed Hoechst-IR, composed of the DNA binding dye Hoechst and the near-infrared dye IR-786, can image necrotic tissue in vivo via fluorescence imaging. Hoechst-IR detects necrosis by binding extracellular DNA released from necrotic cells and was able to image necrosis generated from a myocardial infarction and lipopolysaccharide/D-galactosamine (LPS-GalN) induced sepsis.