| 1291485-13-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1291485-13-6
• 化学式: C₈H₁₉N₃O₄*ClH
• 分子量: 257.717
• InChiKey: BMKJBFKQYGKZFR-TVLNMICESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.28
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  133.99
• 氢给体数：
  6.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  、 水杨醛 以 甲醇 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Synthesis and characterization of glycoconjugate tin(IV) complexes: In vitro DNA binding studies, cytotoxicity, and cell death

  摘要：

  New glycosyl derived ligand and its complexes, with SnCl4 center dot 5H(2)O (1) and (CH3)(2)SnCl2 (2) were synthesized and characterized by spectroscopic (IR, H-1, C-13, and Sn-119 NMR, UV-vis, ESI-MS) and analytical methods. Interaction studies of 1 and 2 with CT DNA were studied by using various biophysical techniques, which showed high binding affinity of 2 with CT DNA. In vitro cytotoxicity of complexes 1 and 2 were evaluated against different human cancer cell lines of different histological origins by employing SRB Assay. The organotin(IV) complex 2 exhibited remarkable activity against DWD (oral cancer) cell lines with GI(50) values <10 mu g/ml. Complex 2 induced apoptosis of DWD cell line at a very low concentration of 1-4 mu g/mL. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.01.012
• 作为产物：
  描述：

  D-glucosamine hydrochloride 、 乙二胺 以 甲醇 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Synthesis and characterization of glycoconjugate tin(IV) complexes: In vitro DNA binding studies, cytotoxicity, and cell death

  摘要：

  New glycosyl derived ligand and its complexes, with SnCl4 center dot 5H(2)O (1) and (CH3)(2)SnCl2 (2) were synthesized and characterized by spectroscopic (IR, H-1, C-13, and Sn-119 NMR, UV-vis, ESI-MS) and analytical methods. Interaction studies of 1 and 2 with CT DNA were studied by using various biophysical techniques, which showed high binding affinity of 2 with CT DNA. In vitro cytotoxicity of complexes 1 and 2 were evaluated against different human cancer cell lines of different histological origins by employing SRB Assay. The organotin(IV) complex 2 exhibited remarkable activity against DWD (oral cancer) cell lines with GI(50) values <10 mu g/ml. Complex 2 induced apoptosis of DWD cell line at a very low concentration of 1-4 mu g/mL. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.01.012