tert-butyl N-methyl-N-[[10-[[methyl-[8-[methyl-[[10-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anthracen-9-yl]methyl]amino]-8-oxooctanoyl]amino]methyl]anthracen-9-yl]methyl]carbamate | 470688-85-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: tert-butyl N-methyl-N-[[10-[[methyl-[8-[methyl-[[10-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anthracen-9-yl]methyl]amino]-8-oxooctanoyl]amino]methyl]anthracen-9-yl]methyl]carbamate
• CAS: 470688-85-8
• 化学式: C₅₄H₆₆N₄O₆
• 分子量: 867.141
• InChiKey: DPMRPHVLFFMAGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  64
• 可旋转键数：
  19
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.41
• 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：

  tert-butyl N-methyl-N-[[10-[[methyl-[8-[methyl-[[10-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anthracen-9-yl]methyl]amino]-8-oxooctanoyl]amino]methyl]anthracen-9-yl]methyl]carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Diboronic acids as fluorescent probes for cells expressing sialyl lewis X

  摘要：

  A series of fluorescent diboronic acids was synthesized in nine steps as potential sensors for sialyl Lewis X (sLex). The fluorescent binding studies of these sensors with sLex were carried out in a mixed aqueous solution. Compound 7e was found to show the strongest fluorescence enhancement upon binding with sLex. Using cell cultures, 7e was shown to label sLex-expressing HEPG2 cells at 1 muM, while non-sLex-expressing cells were not labeled. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00339-6
• 作为产物：
  描述：

  10-(hydroxymethyl)-9-anthraldehyde 在 sodium tetrahydroborate 、 TEA 、 三氧化硫吡啶 、 二甲基亚砜 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 生成 tert-butyl N-methyl-N-[[10-[[methyl-[8-[methyl-[[10-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anthracen-9-yl]methyl]amino]-8-oxooctanoyl]amino]methyl]anthracen-9-yl]methyl]carbamate
  参考文献：
  名称：

  Diboronic acids as fluorescent probes for cells expressing sialyl lewis X

  摘要：

  A series of fluorescent diboronic acids was synthesized in nine steps as potential sensors for sialyl Lewis X (sLex). The fluorescent binding studies of these sensors with sLex were carried out in a mixed aqueous solution. Compound 7e was found to show the strongest fluorescence enhancement upon binding with sLex. Using cell cultures, 7e was shown to label sLex-expressing HEPG2 cells at 1 muM, while non-sLex-expressing cells were not labeled. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00339-6