2-[(2-oxoindol-3-yl)hydrazinylidene]-3-(3-phenoxyphenyl)-1,3-thiazolidin-4-one | 1292780-45-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[(2-oxoindol-3-yl)hydrazinylidene]-3-(3-phenoxyphenyl)-1,3-thiazolidin-4-one
• CAS: 1292780-45-0
• 化学式: C₂₃H₁₆N₄O₃S
• 分子量: 428.471
• InChiKey: RJAJALDUZFOMQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.27
• 重原子数：
  31.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  83.36
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1-Amino-3-(3-phenoxyphenyl)thiourea 、 靛红 在 硫酸 、 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 0.25h， 生成 2-[(2-oxoindol-3-yl)hydrazinylidene]-3-(3-phenoxyphenyl)-1,3-thiazolidin-4-one
  参考文献：
  名称：

  Oxindole derivatives as inhibitors of TAK1 kinase

  摘要：

  Several series of oxindole analogues were synthesized and screened for inhibitory activity against transforming growth factor-beta-activating kinase 1 (TAK1). Modifications around several regions of the lead molecules were made, with a distal hydroxyl group in the D region being critical for activity. The most potent compound 10 shows an IC50 of 8.9 nM against TAK1 in a biochemical enzyme assay, with compounds 3 and 6 showing low micromolar cellular inhibition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.077