N-((4-((4-propoxyphenyl)ethynyl)pyridin-2-yl)methyl)-2-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)acetamide | 1334397-04-4

• 英文名称: N-((4-((4-propoxyphenyl)ethynyl)pyridin-2-yl)methyl)-2-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)acetamide
• CAS: 1334397-04-4
• 化学式: C₃₁H₄₄N₄O₆
• 分子量: 568.714
• InChiKey: UMFCMYULVFHCKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.86
• 重原子数：
  41.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  103.41
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  N-((4-((4-propoxyphenyl)ethynyl)pyridin-2-yl)methyl)-2-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)acetamide 、 1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸三叔丁酯 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.08h， 以58%的产率得到tert-butyl 2,2',2''-(10-(2-oxo-2-(16-(2-oxo-2-((4-((4-propoxyphenyl)ethynyl)pyridin-2-yl)methylamino)ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)ethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
  参考文献：
  名称：

  Responsive Two-Photon Induced Europium Emission as Fluorescent Indicator for Paralytic Shellfish Saxitoxin

  摘要：

  A water-soluble europium(III) complex (1) has been synthesized and demonstrated to be a specific fluorescence probe for the paralytic shellfish toxin saxitoxin, a neurotoxin that blocks the voltage-gated sodium channels on cell membranes. Saxitoxin binds to the europium complex (K-B = 6.1 x 10(4) M-1) and triggers a two-photon induced f-f emission enhancement by over 100% and increases the two-photon absorption cross-section from 9 to 36 GM.

  DOI：

  10.1021/ol2018246
• 作为产物：
  描述：

  2-bromo-N-((4-((4-propoxyphenyl)ethynyl)pyridin-2-yl)methyl)acetamide 、 二氮杂18-冠醚-6 在 碳酸氢钠 作用下， 以 乙腈 为溶剂， 反应 16.0h， 以57%的产率得到N-((4-((4-propoxyphenyl)ethynyl)pyridin-2-yl)methyl)-2-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)acetamide
  参考文献：
  名称：

  Responsive Two-Photon Induced Europium Emission as Fluorescent Indicator for Paralytic Shellfish Saxitoxin

  摘要：

  A water-soluble europium(III) complex (1) has been synthesized and demonstrated to be a specific fluorescence probe for the paralytic shellfish toxin saxitoxin, a neurotoxin that blocks the voltage-gated sodium channels on cell membranes. Saxitoxin binds to the europium complex (K-B = 6.1 x 10(4) M-1) and triggers a two-photon induced f-f emission enhancement by over 100% and increases the two-photon absorption cross-section from 9 to 36 GM.

  DOI：

  10.1021/ol2018246