2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethylideneamino)acetamide | 1378872-33-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethylideneamino)acetamide
• CAS: 1378872-33-3
• 化学式: C₁₇H₁₃Cl₂N₃O₂
• 分子量: 362.215
• InChiKey: QDOHNPUIEKEOEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  66.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1H-吲哚-2-甲醛 、 2,4-二氯苯氧乙酰肼 在 magnesium sulfate 作用下， 以 乙醇 为溶剂， 生成 2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethylideneamino)acetamide
  参考文献：
  名称：

  Identification of a selective small molecule inhibitor of breast cancer stem cells

  摘要：

  A high-throughput screen (HTS) with the National Institute of Health-Molecular Libraries Small Molecule Repository (NIH-MLSMR) compound collection identified a class of acyl hydrazones to be selectively lethal to breast cancer stem cell (CSC) enriched populations. Medicinal chemistry efforts were undertaken to optimize potency and selectivity of this class of compounds. The optimized compound was declared as a probe (ML239) with the NIH Molecular Libraries Program and displayed greater than 20-fold selective inhibition of the breast CSC-like cell line (HMLE_sh_Ecad) over the isogenic control line (HMLE_sh_GFP). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.035