1-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone

• 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-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone
• 英文别名: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanone
• 化学式: C₃₁H₃₇N₃O₂
• 分子量: 483.654
• InChiKey: JUSKTBCBJMYXCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  67.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-溴-3’,5’-二-叔丁-4’-羟基苯乙酮 以 乙醇 、 丙酮 为溶剂， 反应 18.0h， 生成 1-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-benzo[d]imidazol-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

• DEATH RECEPTOR SENSITIZING COMPOUNDS AND METHODS OF USE THEREFOR
  申请人：Schimmer Aaron D.

  公开号：US20080166378A1

  公开（公告）日：2008-07-10

  Methods of identifying death receptor sensitizing compounds and methods of using death receptor sensitizing compounds are provided.
• Use of cyclosporin A to sensitize resistant cancer cells to death receptor ligands
  申请人：Reed John C.

  公开号：US20080206287A1

  公开（公告）日：2008-08-28

  Cyclosporin A has been discovered to sensitize cancers resistant to TNF-family death receptors such as TRAIL and Fas to ligand-mediated apoptosis. Therefore, compositions that include cyclosporin A are useful in treating such cancers.
• US8008354B2
  申请人：——

  公开号：US8008354B2

  公开（公告）日：2011-08-30
• 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.