5-[[2-Amino-5-(4-chlorophenyl)-3-methylimidazol-4-yl]disulfanyl]-4-(4-chlorophenyl)-1-methylimidazol-2-amine;hydrochloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-[[2-Amino-5-(4-chlorophenyl)-3-methylimidazol-4-yl]disulfanyl]-4-(4-chlorophenyl)-1-methylimidazol-2-amine;hydrochloride
• 化学式: C₂₀H₁₈Cl₂N₆S₂*2ClH
• 分子量: 550.363
• InChiKey: IDTXQACJXCSHRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.18
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  138
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(4-chloro-phenyl)-2-methylamino-ethanone hydrochloride 在 二氯化二硫 、 sodium hydroxide 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 30.0h， 生成 5-[[2-Amino-5-(4-chlorophenyl)-3-methylimidazol-4-yl]disulfanyl]-4-(4-chlorophenyl)-1-methylimidazol-2-amine;hydrochloride
  参考文献：
  名称：

  Synthesis of polycarpine, a cytotoxic sulfur-containing alkaloid from the ascidian Polycarpa aurata, and related compounds

  摘要：

  Polycarpine 1, a highly cytotoxic marine natural product, has been synthesized in three steps from p-methoxyphenacyl bromide 4 in 57% overall yield. The key reaction for construction of the symmetrically substituted disulfide linkage of polycarpine is the treatment of 2-amino-4-(4-methoxyphenyl)-1-methylimidazole 17 with S2Cl2 in acetic acid. In a similar way ten related compounds, including three thiazole analogues, have been prepared. Most of them exhibit high cytotoxic activities against an array of human cancer cell lines. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00668-0