Diethyl 2-phenyl-2-[(1,5,6-trimethyl-4,7-dioxobenzimidazol-2-yl)methyl]propanedioate | 1075222-05-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Diethyl 2-phenyl-2-[(1,5,6-trimethyl-4,7-dioxobenzimidazol-2-yl)methyl]propanedioate
• CAS: 1075222-05-7
• 化学式: C₂₄H₂₆N₂O₆
• 分子量: 438.48
• InChiKey: OBSWBDJYVALSPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  7

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  ——	2-chloromethyl-1,5,6-trimethyl-1H-benzimidazole-4,7-dione	786653-63-2	C11H11ClN2O2	238.674

反应信息

• 作为产物：
  描述：

  2-chloromethyl-1,5,6-trimethyl-1H-benzimidazole-4,7-dione 、 Diethyl 2-nitro-2-phenylpropanedioate 在 四丁基氢氧化铵 作用下， 以 水 为溶剂， 反应 0.17h， 以72%的产率得到Diethyl 2-phenyl-2-[(1,5,6-trimethyl-4,7-dioxobenzimidazol-2-yl)methyl]propanedioate
  参考文献：
  名称：

  Synthesis and cytotoxicity evaluation of some benzimidazole-4,7-diones as bioreductive anticancer agents

  摘要：

  New benzimidazole-4,7-diones substituted at 2-position were synthesized via a microwave-assisted reaction using 2-chloromethyl-1,5,6-tri-methyl-1H-benzimidazole-4,7-dione 5b as a key intermediate compound. Their cytotoxicity has been evaluated on colon, breast and lung cancer cell lines. The dimer 17 was shown to possess excellent cytotoxicity comparable to that of mitomycin C. (C) 2008 Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2007.11.020

文献信息

• Synthesis and cytotoxicity evaluation of some benzimidazole-4,7-diones as bioreductive anticancer agents
  作者：Armand Gellis、Hervé Kovacic、Narimène Boufatah、Patrice Vanelle

  DOI：10.1016/j.ejmech.2007.11.020

  日期：2008.9

  New benzimidazole-4,7-diones substituted at 2-position were synthesized via a microwave-assisted reaction using 2-chloromethyl-1,5,6-tri-methyl-1H-benzimidazole-4,7-dione 5b as a key intermediate compound. Their cytotoxicity has been evaluated on colon, breast and lung cancer cell lines. The dimer 17 was shown to possess excellent cytotoxicity comparable to that of mitomycin C. (C) 2008 Published by Elsevier Masson SAS.