1-(4-bromo-2-methylphenylaminocarbonyl)cyclobutanecarboxylic acid | 113137-30-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-bromo-2-methylphenylaminocarbonyl)cyclobutanecarboxylic acid
• 英文别名: 1-[[(4-Bromo-2-methylphenyl)amino]carbonyl]cyclobutanecarboxylic acid；1-[(4-bromo-2-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
• CAS: 113137-30-7
• 化学式: C₁₃H₁₄BrNO₃
• 分子量: 312.163
• InChiKey: VSOLGZMYTKTDGN-UHFFFAOYSA-N

物化性质

• 沸点：
  503.6±45.0 °C(Predicted)
• 密度：
  1.619±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-bromo-2-methylphenylaminocarbonyl)cyclobutanecarboxylic acid 、 4-((3H)-7-quinazolin-4-one)aniline 在 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以20.2%的产率得到1-N'-(4-bromo-2-methylphenyl)-1-N-[4-(4-oxo-3H-quinazolin-7-yl)phenyl]cyclobutane-1,1-dicarboxamide
  参考文献：
  名称：

  Discovery of novel anti-angiogenesis agents. Part 8: Diaryl thiourea bearing 1 H -indazole-3-amine as multi-target RTKs inhibitors

  摘要：

  VEGFR-2, TIE-2, and EphB4 are essential for both angiogenesis and tumorigenesis. Herein, we designed and prepared three classes of multi-target inhibitors based on the extensive sequence homology along the kinase domain of angiogenic RTKs. Biological evaluation indicated that these multi-target inhibitors exhibited considerable potential as novel anti-angiogeneic and anticancer agents. Among them, a diaryl thiourea bearing 1H-indazole-3-amine (16a) displayed the most potent RTK inhibition and excellent selectivity. It also showed inhibition on viability of human umbilical vein endothelial cells and anti proliferation against a broad spectrum of cancer cells. Therefore, 1H-indazole-3-amine could serve as a promising hinge binding group for multi-target inhibitors of VEGFR-2, Tie-2, and EphB4. (C) 2017 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2017.10.008
• 作为产物：
  描述：

  ethyl 1-(4-bromo-2-methylphenylaminocarbonyl)cyclobutanecarboxylate 生成 1-(4-bromo-2-methylphenylaminocarbonyl)cyclobutanecarboxylic acid
  参考文献：
  名称：

  Synergistic plant growth regulator compositions

  摘要：

  这项发明涉及含有（1）乙烯响应或类似乙烯响应诱导剂和（11）丙二酸衍生物化合物的协同植物生长调节剂组合物。该发明还涉及利用上述组合物诱导协同植物生长调节响应或乙烯响应或类似乙烯响应。

  公开号：

  US05123951A1

文献信息

• Synergistic plant growth regulator compositions
  申请人：Rhone-Poulenc Nederland B.V.

  公开号：US05123951A1

  公开（公告）日：1992-06-23

  This invention relates to synergistic plant growth regulator compositions containing (1) an ethylene response or ethylene-type response inducing agent and (11) a malonic acid derivative compound. This invention also relates to the use of said compositions for inducing synergistic plant growth regulating responses or ethylene responses or ethylene-type responses.

  这项发明涉及含有（1）乙烯响应或类似乙烯响应诱导剂和（11）丙二酸衍生物化合物的协同植物生长调节剂组合物。该发明还涉及利用上述组合物诱导协同植物生长调节响应或乙烯响应或类似乙烯响应。
• COMPOSITIONS SYNERGIQUES PHYTOREGULATRICES
  申请人：RHONE POULENC NEDERLAND B.V.

  公开号：EP0262209A1

  公开（公告）日：1988-04-06
• US4736056A
  申请人：——

  公开号：US4736056A

  公开（公告）日：1988-04-05
• US5123951A
  申请人：——

  公开号：US5123951A

  公开（公告）日：1992-06-23
• US5292937A
  申请人：——

  公开号：US5292937A

  公开（公告）日：1994-03-08