4-methyl-2-pyridin-2-yl-6-(trifluoromethyl)-1H-benzimidazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 4-methyl-2-pyridin-2-yl-6-(trifluoromethyl)-1H-benzimidazole
• 化学式: C₁₄H₁₀F₃N₃
• 分子量: 277.24
• InChiKey: IYYDXXPMRLWAGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• INHIBITORS OF INV(16) LEUKEMIA
  申请人：University of Virginia Patent Foundation

  公开号：US20160096820A1

  公开（公告）日：2016-04-07

  This invention describes the development of targeted small molecule inhibitors of the inv(16) fusion, the causative agent in ˜12% of acute myeloid leukemia (AML). The inv(16) fusion results in expression of the CBFβ-SMMHC fusion protein in the blood cells of afflicted patients. The present invention provides compounds which inhibit the function of both CBFβ and the CBFβ-SMMHC fusion. These compounds block the growth of an inv(16) leukemia cell line as well as increase its apoptosis, while showing minimal effects against non inv(16) cell lines. As a mechanism to develop inhibitors with selectivity for the CBFβ-SMMHC fusion protein, the present invention further provides dimeric derivatives of these compounds which show both increased potency as well as selectivity for CBFβ-SMMHC. These compounds show potent inhibition of an inv(16) leukemia cell line with minimal effects on non inv(16) cell lines. Analysis of the pharmacokinetics of the developed compounds has made it possible to improve the lifetime of the compound in the plasma of mice to a level commensurate with long-term treatment.
• US8748618B2
  申请人：——

  公开号：US8748618B2

  公开（公告）日：2014-06-10