[6'-[4-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]benzoyl]oxy-4',5'-dimethyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] 4-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]benzoate | 1333505-38-6

• 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: [6'-[4-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]benzoyl]oxy-4',5'-dimethyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] 4-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]benzoate
• CAS: 1333505-38-6
• 化学式: C₆₂H₅₄N₂O₁₇
• 分子量: 1099.11
• InChiKey: NWAALFOHIQXRPS-BWMWVUAZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  81
• 可旋转键数：
  12
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  249
• 氢给体数：
  6
• 氢受体数：
  19

反应信息

• 作为产物：
  描述：

  [4',5'-Dimethyl-6'-(4-nitrobenzoyl)oxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] 4-nitrobenzoate 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 [6'-[4-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]benzoyl]oxy-4',5'-dimethyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] 4-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]benzoate
  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.