2-Methyl-9-(2,4,6-trimethyl-phenyl)-9H-benzo[d]imidazo[1,2-a]imidazole-3-carboxylic acid ethyl ester | 444326-01-6

• 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: 2-Methyl-9-(2,4,6-trimethyl-phenyl)-9H-benzo[d]imidazo[1,2-a]imidazole-3-carboxylic acid ethyl ester
• 英文别名: Ethyl 2-methyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxylate
• CAS: 444326-01-6
• 化学式: C₂₂H₂₃N₃O₂
• 分子量: 361.444
• InChiKey: ZFEOWGLVGDEFQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  48.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Methyl-9-(2,4,6-trimethyl-phenyl)-9H-benzo[d]imidazo[1,2-a]imidazole-3-carboxylic acid ethyl ester 在 二异丁基氢化铝 作用下， 以 甲苯 为溶剂， 反应 1.0h， 生成 [2-Methyl-9-(2,4,6-trimethyl-phenyl)-9H-benzo[d]imidazo[1,2-a]imidazol-3-yl]-methanol
  参考文献：
  名称：

  Synthesis and structure–activity relationship of imidazo[1,2-a]benzimidazoles as corticotropin-releasing factor 1 receptor antagonists

  摘要：

  8-Aryl-1,3a,8-triaza-cyclopenta[a]indenes represent a novel series of high binding affinity corticotropin-releasing factor 1 receptor antagonists. Here, we report their synthesis, SAR, and pharmacokinetic properties of compound 8e (K-i = 23 nM). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.028
• 作为产物：
  描述：

  、 乙酸酐 在 sodium acetate 作用下， 反应 20.0h， 生成 2-Methyl-9-(2,4,6-trimethyl-phenyl)-9H-benzo[d]imidazo[1,2-a]imidazole-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis and structure–activity relationship of imidazo[1,2-a]benzimidazoles as corticotropin-releasing factor 1 receptor antagonists

  摘要：

  8-Aryl-1,3a,8-triaza-cyclopenta[a]indenes represent a novel series of high binding affinity corticotropin-releasing factor 1 receptor antagonists. Here, we report their synthesis, SAR, and pharmacokinetic properties of compound 8e (K-i = 23 nM). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.028

文献信息

• US7211669B2
  申请人：——

  公开号：US7211669B2

  公开（公告）日：2007-05-01
• US7238699B2
  申请人：——

  公开号：US7238699B2

  公开（公告）日：2007-07-03
• US7244746B2
  申请人：——

  公开号：US7244746B2

  公开（公告）日：2007-07-17
• Synthesis and structure–activity relationship of imidazo[1,2-a]benzimidazoles as corticotropin-releasing factor 1 receptor antagonists
  作者：Xiaojun Han、Sokhom S. Pin、Kevin Burris、Lawrence K. Fung、Stella Huang、Matthew T. Taber、Jie Zhang、Gene M. Dubowchik

  DOI：10.1016/j.bmcl.2005.06.028

  日期：2005.9

  8-Aryl-1,3a,8-triaza-cyclopenta[a]indenes represent a novel series of high binding affinity corticotropin-releasing factor 1 receptor antagonists. Here, we report their synthesis, SAR, and pharmacokinetic properties of compound 8e (K-i = 23 nM). (c) 2005 Elsevier Ltd. All rights reserved.