N-(C-hydroxy-N-pyren-1-ylcarbonimidoyl)-2-[[19,25,31,36-tetratert-butyl-41-[2-hydroxy-2-[(C-hydroxy-N-pyren-1-ylcarbonimidoyl)hydrazinylidene]ethoxy]-3,6,9,12,15-pentaoxa-22,28,33,39-tetrathiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxy]ethanehydrazonic acid | 1616405-09-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: N-(C-hydroxy-N-pyren-1-ylcarbonimidoyl)-2-[[19,25,31,36-tetratert-butyl-41-[2-hydroxy-2-[(C-hydroxy-N-pyren-1-ylcarbonimidoyl)hydrazinylidene]ethoxy]-3,6,9,12,15-pentaoxa-22,28,33,39-tetrathiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxy]ethanehydrazonic acid
• CAS: 1616405-09-4
• 化学式: C₈₆H₈₈N₆O₁₁S₄
• 分子量: 1509.94
• InChiKey: TWOSPLGBQCOAKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23
• 重原子数：
  107
• 可旋转键数：
  16
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  320
• 氢给体数：
  6
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  N-(C-hydroxy-N-pyren-1-ylcarbonimidoyl)-2-[[19,25,31,36-tetratert-butyl-41-[2-hydroxy-2-[(C-hydroxy-N-pyren-1-ylcarbonimidoyl)hydrazinylidene]ethoxy]-3,6,9,12,15-pentaoxa-22,28,33,39-tetrathiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxy]ethanehydrazonic acid 、 四丁基醋酸铵 以 氘代氯仿 、 氘代乙腈 、 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  A study of allosteric binding behaviour of a 1,3-alternate thiacalix[4]arene-based receptor using fluorescence signal

  摘要：

  受体L结合1,3-交替构象基于硫代杯[4]芳烃的变构行为已通过荧光和1H核磁共振滴定实验进行评估。

  DOI：

  10.1039/c4ob00551a
• 作为产物：
  描述：

  2-[[19,25,31,36-Tetratert-butyl-41-(2-hydrazinyl-2-oxoethoxy)-3,6,9,12,15-pentaoxa-22,28,33,39-tetrathiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxy]acetohydrazide 、 1-pyrenyl isocyanate 以 四氢呋喃 为溶剂， 反应 24.0h， 以68%的产率得到N-(C-hydroxy-N-pyren-1-ylcarbonimidoyl)-2-[[19,25,31,36-tetratert-butyl-41-[2-hydroxy-2-[(C-hydroxy-N-pyren-1-ylcarbonimidoyl)hydrazinylidene]ethoxy]-3,6,9,12,15-pentaoxa-22,28,33,39-tetrathiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxy]ethanehydrazonic acid
  参考文献：
  名称：

  A study of allosteric binding behaviour of a 1,3-alternate thiacalix[4]arene-based receptor using fluorescence signal

  摘要：

  受体L结合1,3-交替构象基于硫代杯[4]芳烃的变构行为已通过荧光和1H核磁共振滴定实验进行评估。

  DOI：

  10.1039/c4ob00551a

文献信息

• A study of allosteric binding behaviour of a 1,3-alternate thiacalix[4]arene-based receptor using fluorescence signal
  作者：Hirotsugu Tomiyasu、Cheng-Cheng Jin、Xin-Long Ni、Xi Zeng、Carl Redshaw、Takehiko Yamato

  DOI：10.1039/c4ob00551a

  日期：——

  The allosteric binding behaviour of a receptor L bearing a 1,3-alternate conformation based thiacalix[4]arene has been evaluated by fluorescence and ¹H NMR titration experiments.

  受体L结合1,3-交替构象基于硫代杯[4]芳烃的变构行为已通过荧光和1H核磁共振滴定实验进行评估。