N-[[2,5-dioxo-1-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]methylideneamino]-2-[4-[[2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide | 1388265-71-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: N-[[2,5-dioxo-1-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]methylideneamino]-2-[4-[[2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide
• CAS: 1388265-71-1
• 化学式: C₃₅H₃₄F₃N₉O₅S
• 分子量: 749.773
• InChiKey: SWCHEYOPFONAHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.83
• 重原子数：
  53.0
• 可旋转键数：
  11.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  160.6
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  N-[[2,5-dioxo-1-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]methylideneamino]-2-[4-[[2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide 在 盐酸 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Design, synthesis and antiproliferative activities of diaryl urea derivatives bearing N-acylhydrazone moiety

  摘要：

  A new series of diaryl urea derivatives bearing N-acylhydrazone moiety were designed and synthesized. All the target compounds were evaluated for their antiproliferative activities against human leukemia cell line (HL-60), human lung adenocarcinoma epithelial cell line (A549) and human breast cancer cell line (MDA-MB-231) in vitro by standard MTT assay. The pharmacological results indicated that some compounds exhibited promising antitumor activities. Compound 1j showed the most potent antiproliferative activity against the tested three cell lines with IC50 values of 0.13 mu mol/L, 0.7 mu mol/L and 0.5 mu mol/L, respectively. (C) 2012 Ping Gong. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.06.009
• 作为产物：
  描述：

  4-氰基苯异氰酸酯 在 sodium hydrogensulfide 、 hydrazine hydrate 、 potassium carbonate 、 sodium iodide 、 magnesium chloride 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 60.0h， 生成 N-[[2,5-dioxo-1-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]methylideneamino]-2-[4-[[2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide
  参考文献：
  名称：

  Design, synthesis and antiproliferative activities of diaryl urea derivatives bearing N-acylhydrazone moiety

  摘要：

  A new series of diaryl urea derivatives bearing N-acylhydrazone moiety were designed and synthesized. All the target compounds were evaluated for their antiproliferative activities against human leukemia cell line (HL-60), human lung adenocarcinoma epithelial cell line (A549) and human breast cancer cell line (MDA-MB-231) in vitro by standard MTT assay. The pharmacological results indicated that some compounds exhibited promising antitumor activities. Compound 1j showed the most potent antiproliferative activity against the tested three cell lines with IC50 values of 0.13 mu mol/L, 0.7 mu mol/L and 0.5 mu mol/L, respectively. (C) 2012 Ping Gong. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.06.009