1-isopropyl-2-[1-(pyridin-2-yl)propan-2-yl]-1H-benzoimidazole | 1242165-99-6

• 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: 1-isopropyl-2-[1-(pyridin-2-yl)propan-2-yl]-1H-benzoimidazole
• 英文别名: 1-Isopropyl-2-[1-methyl-2-(2-pyridyl)ethyl]benzimidazole；1-propan-2-yl-2-(1-pyridin-2-ylpropan-2-yl)benzimidazole
• CAS: 1242165-99-6
• 化学式: C₁₈H₂₁N₃
• 分子量: 279.385
• InChiKey: BHNXYLGSKMQGJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 溶剂黄146 作用下， 反应 5.0h， 以85 mg的产率得到1-isopropyl-2-[1-(pyridin-2-yl)propan-2-yl]-1H-benzoimidazole
  参考文献：
  名称：

  Design and synthesis of novel benzimidazole derivatives as inhibitors of hepatitis B virus

  摘要：

  A series of novel benzimidazole derivatives were synthesized and evaluated for their anti-hepatitis B virus (HBV) activity and cytotoxicity in the HepG2.2.15 cell line. The preliminary SAR was discussed. Compound 12a, with IC50 < 0.41 mu M and SI > 81.2, was the most promising compound and selected as the benchmark compound for further optimization. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.05.076

文献信息

• KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE
  申请人：Knopp Biosciences LLC

  公开号：US20210130299A1

  公开（公告）日：2021-05-06

  Provided herein are optionally substituted benzoimidazol-1,2-yl amides, pharmaceutical compositions comprising a therapeutically effective amount of such compounds and a pharmaceutically acceptable excipient, and methods of treating Kv7 associated diseases, such as, epilepsy, amyotrophic lateral sclerosis, various types of pain, hyperexcitability, a dyskinesia, dystonia, mania and tinnitus with such compounds and pharmaceutical compositions.