[10-({[5-({10-[(tert-Butoxycarbonyl-methyl-amino)-methyl]-anthracen-9-ylmethyl}-methyl-carbamoyl)-pentanoyl]-methyl-amino}-methyl)-anthracen-9-ylmethyl]-methyl-carbamic acid tert-butyl ester | 503155-19-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: [10-({[5-({10-[(tert-Butoxycarbonyl-methyl-amino)-methyl]-anthracen-9-ylmethyl}-methyl-carbamoyl)-pentanoyl]-methyl-amino}-methyl)-anthracen-9-ylmethyl]-methyl-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-methyl-N-[[10-[[methyl-[6-[methyl-[[10-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anthracen-9-yl]methyl]amino]-6-oxohexanoyl]amino]methyl]anthracen-9-yl]methyl]carbamate
• CAS: 503155-19-9
• 化学式: C₅₂H₆₂N₄O₆
• 分子量: 839.087
• InChiKey: PCMUONQJYQAFLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  62
• 可旋转键数：
  17
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  99.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [10-({[5-({10-[(tert-Butoxycarbonyl-methyl-amino)-methyl]-anthracen-9-ylmethyl}-methyl-carbamoyl)-pentanoyl]-methyl-amino}-methyl)-anthracen-9-ylmethyl]-methyl-carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  A glucose-selective fluorescence sensor based on boronicacid-diol recognition

  摘要：

  A glucose selective diphenylboronic acid fluorescent sensor (10a) vith a K-a of 1472 M-1 has been synthesized and evaluated. This sensor shoals a 43- and 49-fold selectivity for glucose over fructose and galactose, respectively. The binding affinity improvement is about 300-fold and the selectivity. improvement for glucose over fructose is about 1400-fold compared vith the monoboronic acid compound. phenylboronic acid. H-1 NMR studies indicate that sensor 10a binds with alpha-D-glucofuranose in a bidentate manner (1:1 ratio). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00767-9
• 作为产物：
  描述：

  己二酸 、 tert-butyl methyl({10-[(methylamino)methyl]anthracen-9-yl}methyl)carbamate 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 [10-({[5-({10-[(tert-Butoxycarbonyl-methyl-amino)-methyl]-anthracen-9-ylmethyl}-methyl-carbamoyl)-pentanoyl]-methyl-amino}-methyl)-anthracen-9-ylmethyl]-methyl-carbamic acid tert-butyl ester
  参考文献：
  名称：

  A glucose-selective fluorescence sensor based on boronicacid-diol recognition

  摘要：

  A glucose selective diphenylboronic acid fluorescent sensor (10a) vith a K-a of 1472 M-1 has been synthesized and evaluated. This sensor shoals a 43- and 49-fold selectivity for glucose over fructose and galactose, respectively. The binding affinity improvement is about 300-fold and the selectivity. improvement for glucose over fructose is about 1400-fold compared vith the monoboronic acid compound. phenylboronic acid. H-1 NMR studies indicate that sensor 10a binds with alpha-D-glucofuranose in a bidentate manner (1:1 ratio). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00767-9

文献信息

• A glucose-selective fluorescence sensor based on boronicacid-diol recognition
  作者：Vishnu Vardhan Karnati、Xingming Gao、Shouhai Gao、Wenqian Yang、Weijuan Ni、Sabapathy Sankar、Binghe Wang

  DOI：10.1016/s0960-894x(02)00767-9

  日期：2002.12

  A glucose selective diphenylboronic acid fluorescent sensor (10a) vith a K-a of 1472 M-1 has been synthesized and evaluated. This sensor shoals a 43- and 49-fold selectivity for glucose over fructose and galactose, respectively. The binding affinity improvement is about 300-fold and the selectivity. improvement for glucose over fructose is about 1400-fold compared vith the monoboronic acid compound. phenylboronic acid. H-1 NMR studies indicate that sensor 10a binds with alpha-D-glucofuranose in a bidentate manner (1:1 ratio). (C) 2002 Elsevier Science Ltd. All rights reserved.