N-(2-((3-(N-((2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)acetamido)propyl)thio)ethyl)pentacosa-10,12-diynamide | 1013919-18-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(2-((3-(N-((2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)acetamido)propyl)thio)ethyl)pentacosa-10,12-diynamide
• CAS: 1013919-18-0
• 化学式: C₄₄H₇₆N₂O₁₂S
• 分子量: 857.16
• InChiKey: BRGNAFMLLCDOMS-AFPCACIPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.14
• 重原子数：
  59.0
• 可旋转键数：
  30.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  218.71
• 氢给体数：
  8.0
• 氢受体数：
  13.0

反应信息

• 作为产物：
  描述：

  N-(3-((2-aminoethyl)thio)propyl)-N-((2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)acetamide 、 N-succinimidyl 10,12-pentacosadiynoic acid ester 在 三乙胺 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以42%的产率得到N-(2-((3-(N-((2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)acetamido)propyl)thio)ethyl)pentacosa-10,12-diynamide
  参考文献：
  名称：

  Glycopolydiacetylene nanoparticles as a chromatic biosensor to detect Shiga-like toxin producing Escherichia coli O157:H7

  摘要：

  Shiga toxin-producing Escherichia coli organisms (STEC) were detected by Gal-alpha 1,4-Gal glycopolydiacetylene (GPDA) nanoparticles through the selective binding between Shiga toxin and GPDA nanoparticles. The binding produced a colorimetric change in the absorption wavelength of the GPDA nanoparticles. This method provides a highly selective, rapid, sensitive, and quantitative approach for the detection of STEC. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.055