16-(quinolin-2-ylmethyl)-7-(4,7,10-tetraazacyclodecyl-carbonyl)-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane | 827625-20-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 16-(quinolin-2-ylmethyl)-7-(4,7,10-tetraazacyclodecyl-carbonyl)-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane
• 英文别名: 1-{[16-(2-methylquinoline)-7-(N-carbamoylmethyl)]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane}-1,4,7,10-tetraazacyclododecane
• CAS: 827625-20-7
• 化学式: C₃₂H₅₃N₇O₅
• 分子量: 615.817
• InChiKey: GXVWFJXWWCOFPJ-UHFFFAOYSA-N

物化性质

• 沸点：
  787.6±60.0 °C(Predicted)
• 密度：
  1.079±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.03
• 重原子数：
  44.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  112.69
• 氢给体数：
  3.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  16-(quinolin-2-ylmethyl)-7-(4,7,10-tetraazacyclodecyl-carbonyl)-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane 在 sodium carbonate 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 生成 16-(quinolin-2-ylmethyl)-7-[(4,7,10-tris(carboxymethyl)-4,7,10-tetraazacyclodecyl)carbonyl]-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane
  参考文献：
  名称：

  Luminescent Tb³⁺ Complex with Pendant Crown Ether Showing Dual-Component Recognition of H⁺ and K⁺ at Multiple pH Windows

  摘要：

  [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.

  DOI：

  10.1021/ol048261r
• 作为产物：
  描述：

  2-(氯甲基)喹啉 在 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 18.0h， 生成 16-(quinolin-2-ylmethyl)-7-(4,7,10-tetraazacyclodecyl-carbonyl)-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane
  参考文献：
  名称：

  Luminescent Tb³⁺ Complex with Pendant Crown Ether Showing Dual-Component Recognition of H⁺ and K⁺ at Multiple pH Windows

  摘要：

  [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.

  DOI：

  10.1021/ol048261r

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。