4-(2-(2-((1H-indol-3-yl)methylene)hydrazineyl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine | 1381841-14-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 4-(2-(2-((1H-indol-3-yl)methylene)hydrazineyl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine
• CAS: 1381841-14-0
• 化学式: C₂₅H₃₀N₈O₃S₂
• 分子量: 554.697
• InChiKey: WMGUYJBIAZMHTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.53
• 重原子数：
  38.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  119.05
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  2-氯-6-(4-甲烷磺酰基-哌嗪-1-甲基)-4-吗啉-4-基-噻吩并[3,2-D]嘧啶 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 4-(2-(2-((1H-indol-3-yl)methylene)hydrazineyl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine
  参考文献：
  名称：

  Synthesis and cytotoxic activity of novel 2,6-disubstituted-4-mor-pholinothieno[3,2-d]pyrimidines as potent anti-tumor agents

  摘要：

  A series of 2,6-disubstituted-4-morpholinothieno[3,2-d]pyrimidine derivatives were synthesized and their cytotoxic activity against H460, HT-29, MDA-MB-231, U87MG and H1975 cancer cell lines were evaluated in vitro Most of the target compounds exhibited moderate to excellent activity to the tested cell lines. The most promising compound 23 (0.84 mu mol/L, 0.23 mu mol/L, 2.52 mu mol/L, 1.80 mu mol/L) was 1.0, 2.9, 29.3 and 4.3 times more active than GDC-0941 (0.87 mu mol/L, 0.66 mu mol/L, 73.8 mu mol/L, 7.77 mu mol/L) against H460, HT-29, MDA-MB-231 and U87MG cell lines, respectively. (C) 2012 Ya Jing Liu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.04.012