4-(2-phenyl-1H-imidazol-4-yl)aniline | 96139-68-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(2-phenyl-1H-imidazol-4-yl)aniline
• 英文别名: 4-(2-phenyl-1H-imidazol-5-yl)aniline
• CAS: 96139-68-3
• 化学式: C₁₅H₁₃N₃
• 分子量: 235.288
• InChiKey: GCTTYGRSOREJMD-UHFFFAOYSA-N

物化性质

• 沸点：
  507.5±25.0 °C(Predicted)
• 密度：
  1.213±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(2-phenyl-1H-imidazol-4-yl)aniline 、 3-(4-氧代-3,4-二氢-2-喹唑啉)-丙酸 在 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-(4-(2-phenyl-1Himidazol-5-yl)phenyl)propanamide
  参考文献：
  名称：

  Development of Novel Dual Binders as Potent, Selective, and Orally Bioavailable Tankyrase Inhibitors

  摘要：

  Tankyrases (TNKS1 and TNKS2) are proteins in the poly ADP-ribose polymerase (PARP) family. They have been shown to directly bind to axin proteins, which negatively regulate the Wnt pathway by promoting β-catenin degradation. Inhibition of tankyrases may offer a novel approach to the treatment of APC-mutant colorectal cancer. Hit compound 8 was identified as an inhibitor of tankyrases through a combination of substructure searching of the Amgen compound collection based on a minimal binding pharmacophore hypothesis and high-throughput screening. Herein we report the structure- and property-based optimization of compound 8 leading to the identification of more potent and selective tankyrase inhibitors 22 and 49 with improved pharmacokinetic properties in rodents, which are well suited as tool compounds for further in vivo validation studies.

  DOI：

  10.1021/jm401317z

文献信息

• Indolinones having kinase-inhibiting activity
  申请人：Boehringer Ingelheim Pharma KG

  公开号：US06043254A1

  公开（公告）日：2000-03-28

  The present invention relates to indolinones of general formula ##STR1## wherein R.sub.1 to R.sub.3 are defined in claim 1, the isomers and the salts thereof, particularly the physiologically acceptable salts thereof which have valuable pharmacological properties, particularly an inhibiting effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells, pharmaceutical compositions containing these compounds, their use and processes for preparing them.

  本发明涉及一般式##STR1##中R.sub.1至R.sub.3的定义如权利要求1所述，其异构体和盐，特别是具有有价值的药理特性的生理上可接受的盐，特别是对各种激酶和cycline/CDK复合物以及各种肿瘤细胞增殖具有抑制作用的盐，含有这些化合物的药物组合物，它们的用途和制备它们的方法。
• CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS
  申请人：NEUROGEN CORPORATION

  公开号：EP0996443A1

  公开（公告）日：2000-05-03
• US6043254A
  申请人：——

  公开号：US6043254A

  公开（公告）日：2000-03-28
• US6121260A
  申请人：——

  公开号：US6121260A

  公开（公告）日：2000-09-19
• US6515133B1
  申请人：——

  公开号：US6515133B1

  公开（公告）日：2003-02-04