| 1355602-09-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• CAS: 1355602-09-3
• 化学式: C₅₁H₅₃N₅O₆
• 分子量: 832.012
• InChiKey: CBKDPDKWRXJITE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.29
• 重原子数：
  62.0
• 可旋转键数：
  10.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  130.17
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 potassium carbonate 、 三氟乙酸 、 potassium iodide 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 18.25h， 生成
  参考文献：
  名称：

  Synthesis and evaluation of aryl boronic acids as fluorescent artificial receptors for biological carbohydrates

  摘要：

  Carbohydrates in various forms play a vital role in numerous critical biological processes. The detection of such saccharides can give insight into the progression of such diseases such as cancer. Boronic acids react with 1,2 and 1,3 diols of saccharides in non-aqueous or basic aqueous media. Herein, we describe the design, synthesis and evaluation of three bisboronic acid fluorescent probes, each having about ten linear steps in its synthesis. Among these compounds that were evaluated, 9b was shown to selectively label HepG2, liver carcinoma cell line within a concentration range of 0.5-10 mu M in comparison to COS-7, a normal fibroblast cell line. (C) 2011 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.bioorg.2011.11.003
• 作为产物：
  描述：

  (10-Hydroxymethyl-anthracen-9-ylmethyl)-methyl-carbamic acid tert-butyl ester 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 四氯化碳 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 34.0h， 生成
  参考文献：
  名称：

  Synthesis and evaluation of aryl boronic acids as fluorescent artificial receptors for biological carbohydrates

  摘要：

  Carbohydrates in various forms play a vital role in numerous critical biological processes. The detection of such saccharides can give insight into the progression of such diseases such as cancer. Boronic acids react with 1,2 and 1,3 diols of saccharides in non-aqueous or basic aqueous media. Herein, we describe the design, synthesis and evaluation of three bisboronic acid fluorescent probes, each having about ten linear steps in its synthesis. Among these compounds that were evaluated, 9b was shown to selectively label HepG2, liver carcinoma cell line within a concentration range of 0.5-10 mu M in comparison to COS-7, a normal fibroblast cell line. (C) 2011 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.bioorg.2011.11.003