N-(1,3-benzodioxol-5-ylmethyl)-1-diethoxyphosphoryl-1-pyridin-2-ylmethanamine | 1442751-21-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: N-(1,3-benzodioxol-5-ylmethyl)-1-diethoxyphosphoryl-1-pyridin-2-ylmethanamine
• CAS: 1442751-21-4
• 化学式: C₁₈H₂₃N₂O₅P
• 分子量: 378.365
• InChiKey: BVUOXEFCLHOFGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  78.9
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  cis-dichlorobis(dimethylsulfoxide)platinum(II) 、 N-(1,3-benzodioxol-5-ylmethyl)-1-diethoxyphosphoryl-1-pyridin-2-ylmethanamine 以 乙醇 、 二氯甲烷 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Platinum(II) complexes with mono-aminophosphonate ester targeting group that induce apoptosis through G1 cell-cycle arrest: Synthesis, crystal structure and antitumour activity

  摘要：

  Six new platinum(II) complexes with mono-aminophosphonate ester were synthesized and characterized by elemental analysis, H-1 NMR, ESI-MS as well as single crystal X-ray diffraction analysis. They are mononuclear structures. In all the crystal structures of complexes 1-6, the platinum centre adopts an approximately square-planar geometry, which were found to possess excellent solubility in both organic solvents and water and exhibit considerable cytotoxicity against MG-63, SK-OV-3 and HepG2 cell lines, but low cytotoxicity towards normal human liver cell HL-7702. In contrast to cisplatin, their antitumour activities are achieved through the induction of cell apoptosis by G1 cell-cycle arrest. (c) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.01.055
• 作为产物：
  描述：

  吡啶-2-甲醛 、 3,4-亚甲二氧基苄胺 、 磷酸二乙酯 反应 1.0h， 生成 N-(1,3-benzodioxol-5-ylmethyl)-1-diethoxyphosphoryl-1-pyridin-2-ylmethanamine
  参考文献：
  名称：

  Platinum(II) complexes with mono-aminophosphonate ester targeting group that induce apoptosis through G1 cell-cycle arrest: Synthesis, crystal structure and antitumour activity

  摘要：

  Six new platinum(II) complexes with mono-aminophosphonate ester were synthesized and characterized by elemental analysis, H-1 NMR, ESI-MS as well as single crystal X-ray diffraction analysis. They are mononuclear structures. In all the crystal structures of complexes 1-6, the platinum centre adopts an approximately square-planar geometry, which were found to possess excellent solubility in both organic solvents and water and exhibit considerable cytotoxicity against MG-63, SK-OV-3 and HepG2 cell lines, but low cytotoxicity towards normal human liver cell HL-7702. In contrast to cisplatin, their antitumour activities are achieved through the induction of cell apoptosis by G1 cell-cycle arrest. (c) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.01.055

文献信息

• Platinum(II) complexes with mono-aminophosphonate ester targeting group that induce apoptosis through G1 cell-cycle arrest: Synthesis, crystal structure and antitumour activity
  作者：Ke-Bin Huang、Zhen-Feng Chen、Yan-Cheng Liu、Zhu-Quan Li、Jian-Hua Wei、Meng Wang、Guo-Hai Zhang、Hong Liang

  DOI：10.1016/j.ejmech.2013.01.055

  日期：2013.5

  Six new platinum(II) complexes with mono-aminophosphonate ester were synthesized and characterized by elemental analysis, H-1 NMR, ESI-MS as well as single crystal X-ray diffraction analysis. They are mononuclear structures. In all the crystal structures of complexes 1-6, the platinum centre adopts an approximately square-planar geometry, which were found to possess excellent solubility in both organic solvents and water and exhibit considerable cytotoxicity against MG-63, SK-OV-3 and HepG2 cell lines, but low cytotoxicity towards normal human liver cell HL-7702. In contrast to cisplatin, their antitumour activities are achieved through the induction of cell apoptosis by G1 cell-cycle arrest. (c) 2013 Elsevier Masson SAS. All rights reserved.