2-溴-1-异硫氰基-4-(三氟甲氧基)苯 | 948294-38-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-溴-1-异硫氰基-4-(三氟甲氧基)苯
• 英文名称: 2-Bromo-1-isothiocyanato-4-(trifluoromethoxy)benzene
• CAS: 948294-38-0
• 化学式: C₈H₃BrF₃NOS
• 分子量: 298.083
• InChiKey: FREVEYHDZHNTGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  53.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7-(4-aminophenyl)quinazolin-2-amine 、 2-溴-1-异硫氰基-4-(三氟甲氧基)苯 以 二氯甲烷 为溶剂， 反应 20.0h， 生成 N-[4-(2-aminoquinazolin-7-yl)phenyl]-N'-[2-bromo-4-(trifluoromethoxy)phenyl]thiourea
  参考文献：
  名称：

  Discovery of novel anti-angiogenesis agents. Part 6: Multi-targeted RTK inhibitors

  摘要：

  Angiogenesis is modulated by a multitude of pro-angiogenic factors including VEGFR-2, Tie-2, and EphB4. Moreover, their crosstalk also had been well elaborated. We have identified several diarylureabased VEGFR-2 inhibitors as potential anti-angiogenesis agents. As a continuation to our previous research, two series of diaryl malonamide and diaryl thiourea derivatives have been developed as multiplex VEGFR-2/Tie-2/EphB4 inhibitors. Interestingly, the biological evaluation indicated that several compounds bearing trifluoromethyl or trifluoromethoxyl exhibited promising multiplex inhibition against angiogenesis-related VEGFR-2, Tie-2, and EphB4. The representative compound (18a) displayed both potent multi-targeted RTK inhibition and considerable antiproliferative activities against human umbilical vein endothelial cells (EA.hy926). These results will contribute to the discovery of novel mutitargeted anti-angiogenesis agents. (C) 2017 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2016.12.059
• 作为产物：
  描述：

  2-溴-4-三氟甲氧基苯胺 在 三乙烯二胺 、 三光气 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成 2-溴-1-异硫氰基-4-(三氟甲氧基)苯
  参考文献：
  名称：

  Discovery of novel anti-angiogenesis agents. Part 6: Multi-targeted RTK inhibitors

  摘要：

  Angiogenesis is modulated by a multitude of pro-angiogenic factors including VEGFR-2, Tie-2, and EphB4. Moreover, their crosstalk also had been well elaborated. We have identified several diarylureabased VEGFR-2 inhibitors as potential anti-angiogenesis agents. As a continuation to our previous research, two series of diaryl malonamide and diaryl thiourea derivatives have been developed as multiplex VEGFR-2/Tie-2/EphB4 inhibitors. Interestingly, the biological evaluation indicated that several compounds bearing trifluoromethyl or trifluoromethoxyl exhibited promising multiplex inhibition against angiogenesis-related VEGFR-2, Tie-2, and EphB4. The representative compound (18a) displayed both potent multi-targeted RTK inhibition and considerable antiproliferative activities against human umbilical vein endothelial cells (EA.hy926). These results will contribute to the discovery of novel mutitargeted anti-angiogenesis agents. (C) 2017 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2016.12.059

文献信息

• 10.1016/j.apcata.2024.119806
  作者：Selvaraj, Ramaraj、G, Govinda Rajulu、Arunachalam, Rajendran、Subramanian, Palani S.、Savitha Lakshmi、Mahalakshmi、Suresh, Eringathodi、Ganesh, Krithika、Rajeshwaran, Kasi、Karthik、S, Sandeep

  DOI：10.1016/j.apcata.2024.119806

  日期：——
• Discovery of novel anti-angiogenesis agents. Part 6: Multi-targeted RTK inhibitors
  作者：Lin Zhang、Yuanyuan Shan、Chuansheng Li、Ying Sun、Ping Su、Jinfeng Wang、Lisha Li、Xiaoyan Pan、Jie Zhang

  DOI：10.1016/j.ejmech.2016.12.059

  日期：2017.2

  Angiogenesis is modulated by a multitude of pro-angiogenic factors including VEGFR-2, Tie-2, and EphB4. Moreover, their crosstalk also had been well elaborated. We have identified several diarylureabased VEGFR-2 inhibitors as potential anti-angiogenesis agents. As a continuation to our previous research, two series of diaryl malonamide and diaryl thiourea derivatives have been developed as multiplex VEGFR-2/Tie-2/EphB4 inhibitors. Interestingly, the biological evaluation indicated that several compounds bearing trifluoromethyl or trifluoromethoxyl exhibited promising multiplex inhibition against angiogenesis-related VEGFR-2, Tie-2, and EphB4. The representative compound (18a) displayed both potent multi-targeted RTK inhibition and considerable antiproliferative activities against human umbilical vein endothelial cells (EA.hy926). These results will contribute to the discovery of novel mutitargeted anti-angiogenesis agents. (C) 2017 Elsevier Masson SAS. All rights reserved.