1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-(2-imino-2,3-dihydro-benzoimidazol-1-yl)-ethanone | 393847-07-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-(2-imino-2,3-dihydro-benzoimidazol-1-yl)-ethanone
• 英文别名: 2-(2-aminobenzimidazol-1-yl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
• CAS: 393847-07-9
• 化学式: C₂₃H₂₉N₃O₂
• 分子量: 379.502
• InChiKey: KIUZJAMQINOKIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  81.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-(2-imino-2,3-dihydro-benzoimidazol-1-yl)-ethanone 、 alkaline earth salt of/the/ methylsulfuric acid 以 乙醇 为溶剂， 生成 1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-[2-imino-3-(2-piperidin-1-yl-ethyl)-2,3-dihydro-benzoimidazol-1-yl]-ethanone
  参考文献：
  名称：

  Potent, low molecular weight thrombin receptor antagonists

  摘要：

  Several benzimidazole derivatives have been identified as potent thrombin receptor (PAR-1) antagonists as represented by compound 1h, which showed an IC50 of 33 nM. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00555-8
• 作为产物：
  描述：

  2-溴-3’,5’-二-叔丁-4’-羟基苯乙酮 、 2-氨基苯并咪唑 以 丙酮 为溶剂， 反应 18.0h， 生成 1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-(2-imino-2,3-dihydro-benzoimidazol-1-yl)-ethanone
  参考文献：
  名称：

  Potent, low molecular weight thrombin receptor antagonists

  摘要：

  Several benzimidazole derivatives have been identified as potent thrombin receptor (PAR-1) antagonists as represented by compound 1h, which showed an IC50 of 33 nM. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00555-8

文献信息

• Potent, low molecular weight thrombin receptor antagonists
  作者：Samuel Chackalamannil、Darı́o Doller、Keith Eagen、Michael Czarniecki、Ho-Sam Ahn、Carolyn J. Foster、George Boykow

  DOI：10.1016/s0960-894x(01)00555-8

  日期：2001.11

  Several benzimidazole derivatives have been identified as potent thrombin receptor (PAR-1) antagonists as represented by compound 1h, which showed an IC50 of 33 nM. (C) 2001 Elsevier Science Ltd. All rights reserved.