1-[3-(Trifluoromethyl)phenyl]imidazol-2-amine | 1238312-62-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-[3-(Trifluoromethyl)phenyl]imidazol-2-amine
• 英文别名: 1-[3-(trifluoromethyl)phenyl]imidazol-2-amine
• CAS: 1238312-62-3
• 化学式: C₁₀H₈F₃N₃
• 分子量: 227.189
• InChiKey: DKGMGXGXOBPZRX-UHFFFAOYSA-N

物化性质

• 沸点：
  357.8±52.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  解草啶 、 1-[3-(Trifluoromethyl)phenyl]imidazol-2-amine 在 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 为溶剂， 生成
  参考文献：
  名称：

  Discovery of novel 1H-imidazol-2-yl-pyrimidine-4,6-diamines as potential antimalarials

  摘要：

  A novel family of 1H-imidazol-2-yl-pyrimidine-4,6-diamines has been identified with potent activity against the erythrocyte-stage of Plasmodium falciparum (Pf), the most common causative agent of malaria. A systematic SAR study resulted in the identification of compound 40 which exhibits good potency against both wild-type and drug resistant parasites and exhibits good in vivo pharmacokinetic properties. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.05.095
• 作为产物：
  描述：

  氯乙醛 、 N-(3-trifluoromethylphenyl)guanidine nitrate 在 sodium carbonate 作用下， 以 乙醇 、 水 为溶剂， 生成 1-[3-(Trifluoromethyl)phenyl]imidazol-2-amine
  参考文献：
  名称：

  Discovery of novel 1H-imidazol-2-yl-pyrimidine-4,6-diamines as potential antimalarials

  摘要：

  A novel family of 1H-imidazol-2-yl-pyrimidine-4,6-diamines has been identified with potent activity against the erythrocyte-stage of Plasmodium falciparum (Pf), the most common causative agent of malaria. A systematic SAR study resulted in the identification of compound 40 which exhibits good potency against both wild-type and drug resistant parasites and exhibits good in vivo pharmacokinetic properties. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.05.095

文献信息

• SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE
  申请人：Dana Farber Cancer Institute, Inc.

  公开号：EP3150593A1

  公开（公告）日：2017-04-05

  The present invention provides novel heteroaryl compounds that are linked to an aryl group via an amine linker. Such compounds are useful for the treatment of cancers.

  本发明提供了通过胺连接剂与芳基相连的新型杂芳基化合物。此类化合物可用于治疗癌症。