3',6'-bis[[4-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]phenyl]methoxy]-4',5'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one | 1333505-30-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3',6'-bis[[4-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]phenyl]methoxy]-4',5'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
• CAS: 1333505-30-8
• 化学式: C₅₂H₅₄N₂O₁₅
• 分子量: 947.005
• InChiKey: VWNSTVIDVKXICG-COKJDPTPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  69
• 可旋转键数：
  10
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  214
• 氢给体数：
  6
• 氢受体数：
  17

反应信息

• 作为产物：
  描述：

  4',5'-Dimethyl-3',6'-bis[(4-nitrophenyl)methoxy]spiro[2-benzofuran-3,9'-xanthene]-1-one 在 palladium 10% on activated carbon 、 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 33.0h， 生成 3',6'-bis[[4-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]phenyl]methoxy]-4',5'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of a novel class of fluorescein-based N-glycosylamines

  摘要：

  A series of fluorescein-based N-glycosylamines was synthesized from the corresponding fluorescein amine and a partially protected D-glucose. The physiochemical investigation of these compounds by spectral and morphological studies reveals their gelation potential. The exclusive localization of fluorescence in the cytoplasm through cell imaging studies reveals the anti-cancer potentials of N-glycosylamines. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2011.06.001

文献信息

• Design, synthesis, and biological evaluation of a novel class of fluorescein-based N-glycosylamines
  作者：Mani Rajasekar、Sulaiman Mahaboob Khan、Sivasithamparam Niranjali Devaraj、Thangamuthu Mohan Das

  DOI：10.1016/j.carres.2011.06.001

  日期：2011.9

  A series of fluorescein-based N-glycosylamines was synthesized from the corresponding fluorescein amine and a partially protected D-glucose. The physiochemical investigation of these compounds by spectral and morphological studies reveals their gelation potential. The exclusive localization of fluorescence in the cytoplasm through cell imaging studies reveals the anti-cancer potentials of N-glycosylamines. (C) 2011 Elsevier Ltd. All rights reserved.