(2R,2'R,3S,3'S,4R,4'R,5R,5'R,6R,6'R)-6,6'-(((ethane-1,2-diylbis(azanediyl))bis(ethane-2,1-diyl))bis(azanediyl))bis(5-amino-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol) | 1257226-78-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,2'R,3S,3'S,4R,4'R,5R,5'R,6R,6'R)-6,6'-(((ethane-1,2-diylbis(azanediyl))bis(ethane-2,1-diyl))bis(azanediyl))bis(5-amino-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol)
• CAS: 1257226-78-0
• 化学式: C₁₈H₄₀N₆O₈
• 分子量: 468.551
• InChiKey: RSLSDNOUYKLKIA-VJNWYYDESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.12
• 重原子数：
  32.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  240.0
• 氢给体数：
  12.0
• 氢受体数：
  14.0

反应信息

• 作为产物：
  描述：

  2-脱氧-2-氨基-b-D-葡萄糖 、 三乙烯四胺 以 甲醇 为溶剂， 反应 1.5h， 生成 (2R,2'R,3S,3'S,4R,4'R,5R,5'R,6R,6'R)-6,6'-(((ethane-1,2-diylbis(azanediyl))bis(ethane-2,1-diyl))bis(azanediyl))bis(5-amino-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol)
  参考文献：
  名称：

  Synthesis of carbohydrate-conjugate heterobimetallic CuII–Sn2IV and ZnII–Sn2IV complexes; their interactions with CT DNA and nucleotides; DNA cleavage, in-vitro cytotoxicity

  摘要：

  The new heterobimetallic Ni-II-Sn-2(IV) (1), Cu-II-Sn-2(IV) (2) and Zn-II-Sn-2(IV) (3) complexes, containing D-glucosamine, 1,8-diamino-3,6-diazaoctane and imidazole were isolated and characterized by spectral and analytical methods. The proposed geometry of Ni(II) and Cu(II) in 1 and 2 was square pyramidal, Zn (II) in 3 exhibited tetrahedral while Sn(IV) exhibits hexacoordinate environment, respectively. The X-ray powder diffraction (XRPD) confirmed the amorphous nature of all the complexes. The interaction studies of 2 and 3 with CT DNA were carried out by various biophysical techniques to show the mode of binding. The interaction of 2 and 3 with nucleotides viz 5'-GMP and 5'-TMP, respectively were further confirmed by H-1, P-31 and Sn-119 NMR spectroscopy. The complex 2 exhibited effective cleavage activity with pBR322 DNA. Furthermore, the cytotoxicity of 2 was examined on a panel of human tumor cell lines of different histological origins and showed good activity against Colo205 and A2780 (GI50 < 10 mu g/ml). (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.07.046