1-[(1-aza-15-crown-5)-1-ylacetyl]-1,4,7,10-tetraazacyclododecane | 754187-92-3

• 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: 1-[(1-aza-15-crown-5)-1-ylacetyl]-1,4,7,10-tetraazacyclododecane
• 英文别名: 1-(N-acetyl-aza-15-crown-5)-1,4,7,10-tetraazacyclododecane；1-(1,4,7,10-Tetraoxa-13-azacyclopentadec-13-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)ethanone；1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)ethanone
• CAS: 754187-92-3
• 化学式: C₂₀H₄₁N₅O₅
• 分子量: 431.576
• InChiKey: FUAMJXNRJRTNBA-UHFFFAOYSA-N

物化性质

• 沸点：
  636.1±55.0 °C(Predicted)
• 密度：
  1.025±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.5
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  96.6
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-[(1-aza-15-crown-5)-1-ylacetyl]-1,4,7,10-tetraazacyclododecane 在 硼烷四氢呋喃络合物 、 sodium carbonate 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 18.0h， 生成 1-(2-乙基-氮杂-15-冠-5)-4,7,10-三(乙酸)-1,4,7,10-四氮杂环十二烷
  参考文献：
  名称：

  Luminescent heptadentate Tb3+ complex with pendant aza-15-crown-5 showing recognition of lactate and salicylate in aqueous solution

  摘要：

  The coordinatedly unsaturated neutral complex TbL1 that possesses two labile metal-bound water Molecules provides linear response to lactate in the range of 0-3.0 mM at the simulated extracellular background with the variations of Tb luminescence lifetime as output: the maximal amplification of the luminescence intensity of TbL1 reaches a factor of 135 upon titration with aromatic antenna salicylate in the physiological pH window. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.06.063
• 作为产物：
  描述：

  氮杂-15-冠醚-5 在 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 14.0h， 生成 1-[(1-aza-15-crown-5)-1-ylacetyl]-1,4,7,10-tetraazacyclododecane
  参考文献：
  名称：

  Luminescent heptadentate Tb3+ complex with pendant aza-15-crown-5 showing recognition of lactate and salicylate in aqueous solution

  摘要：

  The coordinatedly unsaturated neutral complex TbL1 that possesses two labile metal-bound water Molecules provides linear response to lactate in the range of 0-3.0 mM at the simulated extracellular background with the variations of Tb luminescence lifetime as output: the maximal amplification of the luminescence intensity of TbL1 reaches a factor of 135 upon titration with aromatic antenna salicylate in the physiological pH window. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.06.063

文献信息

• Paramagnetic complexes with pendant crown compounds showing improved targeting-specificity as MRI contrast agents
  申请人：Wong Wing-Tak

  公开号：US20060057071A1

  公开（公告）日：2006-03-16

  Potential magnetic resonance imaging (MRI) contrast agents that are functionalized with crown compounds have been synthesized, and show target-specificity to the kidney and liver, along with excellent water solubility, high MR intensity enhancement efficiency, long resident lifetime, low dosage requirement, low cytotoxicity and prolonged excretion rate.

  功能化了冠化合物的潜在磁共振成像（MRI）对比剂已经合成，并显示出对肾脏和肝脏的靶向特异性，以及优异的水溶性、高MR强度增强效率、长期滞留寿命、低剂量需求、低细胞毒性和延长排泄速率。
• Paramagnetic Complexes with Pendant Crown Compounds Showing Improved Targeting- Specificity as MRI Contrast Agents
  申请人：Wong Wing-Tak

  公开号：US20090104124A1

  公开（公告）日：2009-04-23

  Potential magnetic resonance imaging (MRI) contrast agents that are functionalized with crown compounds have been synthesized, and show target-specificity to the kidney and liver, along with excellent water solubility, high MR intensity enhancement efficiency, long resident lifetime, low dosage requirement, low cytotoxicity and prolonged excretion rate.
• Luminescent Tb³⁺ Complex with Pendant Crown Ether Showing Dual-Component Recognition of H⁺ and K⁺ at Multiple pH Windows
  作者：Cong Li、Ga-Lai Law、Wing-Tak Wong

  DOI：10.1021/ol048261r

  日期：2004.12.1

  [Graphics]A lanthanide luminescent probe that was functionalized with quinoline-alkylated diaza-18-crown-6 showed dual-component recognition of concentrations of H+ and K+ at four independent pH ranges, including in the physiological pH window. Moreover, it exhibited pH- and [K+]-independent long-lived lanthanicle luminescent lifetimes in aqueous solution.
• Luminescent heptadentate Tb3+ complex with pendant aza-15-crown-5 showing recognition of lactate and salicylate in aqueous solution
  作者：Cong Li、Wing-Tak Wong

  DOI：10.1016/j.tetlet.2004.06.063

  日期：2004.7

  The coordinatedly unsaturated neutral complex TbL1 that possesses two labile metal-bound water Molecules provides linear response to lactate in the range of 0-3.0 mM at the simulated extracellular background with the variations of Tb luminescence lifetime as output: the maximal amplification of the luminescence intensity of TbL1 reaches a factor of 135 upon titration with aromatic antenna salicylate in the physiological pH window. (C) 2004 Elsevier Ltd. All rights reserved.