4-amino-5-(3,4-dichlorobenzoyl)-2-(4-methoxyanilino)-N-phenyl-1H-pyrrole-3-carbothioamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-amino-5-(3,4-dichlorobenzoyl)-2-(4-methoxyanilino)-N-phenyl-1H-pyrrole-3-carbothioamide
• 化学式: C₂₅H₂₀Cl₂N₄O₂S
• 分子量: 511.431
• InChiKey: UUIQPORTIXGSTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  124
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-溴-3',4'-二氯苯乙酮 、 3-amino-3-<(4-methoxyphenyl)amino>2-<(phenylamino)thioxamethyl>-2-propenenitrile 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 24.0h， 以98%的产率得到4-amino-5-(3,4-dichlorobenzoyl)-2-(4-methoxyanilino)-N-phenyl-1H-pyrrole-3-carbothioamide
  参考文献：
  名称：

  Synthesis and in vitro antitumoral activity of new N-phenyl-3-pyrrolecarbothioamides

  摘要：

  A new series of N-phenylpyrrolecarbothioamides were obtained from base catalyzed intramolecular cyclization of 3-amino-3-(alkyl or arylamino)propenethioamides. Pyrrole derivatives were evaluated for their in vitro anticancer activity toward cell lines of nine different types of human cancer. Some of newly prepared compounds demonstrated inhibitory effects on the growth of a wide range of cancer cell lines generally at 10(-6) M level and in some case at 10(-8) M concentrations. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00465-0

文献信息

• Synthesis and in vitro antitumoral activity of new N-phenyl-3-pyrrolecarbothioamides
  作者：Maria T. Cocco、Cenzo Congiu、Valentina Onnis

  DOI：10.1016/s0968-0896(02)00465-0

  日期：2003.2

  A new series of N-phenylpyrrolecarbothioamides were obtained from base catalyzed intramolecular cyclization of 3-amino-3-(alkyl or arylamino)propenethioamides. Pyrrole derivatives were evaluated for their in vitro anticancer activity toward cell lines of nine different types of human cancer. Some of newly prepared compounds demonstrated inhibitory effects on the growth of a wide range of cancer cell lines generally at 10(-6) M level and in some case at 10(-8) M concentrations. (C) 2002 Elsevier Science Ltd. All rights reserved.