5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxamide | 862813-41-0

• 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: 5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxamide
• 英文别名: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxamide
• CAS: 862813-41-0
• 化学式: C₁₉H₁₇N₃O₄S₂
• 分子量: 415.494
• InChiKey: FSKPWMXAGUNAEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  145
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  methyl 5-(5,6-dimethoxy-1H-benzo[d]imidazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxylate 在 氨 作用下， 以 甲醇 为溶剂， 生成 5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxamide
  参考文献：
  名称：

  Discovery of thiophene inhibitors of polo-like kinase

  摘要：

  The discovery and development of a series of thiophenes as potent and selective inhibitors of PLK is described. Identification and characterization of 2, a useful in vitro PLK inhibitor tool compound, is also presented. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.041

文献信息

• [EN] BENZIMIDAZOL SUBSTITUTED THIOPENE DERIVATIVES WITH ATCTIVITY ON IKK3<br/>[FR] DERIVES DE THIOPHENE A SUBSTITUTION BENZIMIDAZOLE A ACTIVITE SUR IKK3
  申请人：GLAXO GROUP LTD

  公开号：WO2005075465A1

  公开（公告）日：2005-08-18

  A compound of Formula (I): and compositions and medicaments containing the same, as well as processes for the preparation and use of such compounds, compositions and medicaments. Such benzimidazole derivatives are potentially useful in the treatment of diseases associated with inappropriate I-kappa-B kinase-3 (IKK3) (also known as I-kappa-B kinase epsilon (IKKϵ) or inducible I-kappa B kinase (IKKi)) activity.

  公式（I）的化合物，以及含有该化合物的组合物和药物，以及制备和使用这种化合物，组合物和药物的过程。这些苯并咪唑衍生物在治疗与不适当的I-kappa-B激酶3（IKK3）（也称为I-kappa-B激酶ε（IKKε）或可诱导I-kappa B激酶（IKKi））活性相关的疾病方面具有潜在的用途。
• Benzimidazol substituted thiopene derivatives with activity on ikk3
  申请人：Bamborough Paul

  公开号：US20070149519A1

  公开（公告）日：2007-06-28

  A compound of Formula (I): and compositions and medicaments containing the same, as well as processes for the preparation and use of such compounds, compositions and medicaments. Such benzimidazole derivatives are potentially useful in the treatment of diseases associated with inappropriate I-kappa-B kinase-3 (IKK3) (also known as I-kappa-B kinase epsilon (IKKε) or inducible I-kappa B kinase (IKKi)) activity.

  公式（I）的化合物，以及含有该化合物的组合物和药物，以及制备和使用这些化合物，组合物和药物的过程。这些苯并咪唑衍生物在治疗与不适当的I-kappa-B激酶-3（IKK3）（也称为I-kappa-B激酶epsilon（IKKε）或可诱导I-kappa B激酶（IKKi））活性有关的疾病方面具有潜在的用途。
• BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3
  申请人：GLAXO GROUP LIMITED

  公开号：EP1720864A1

  公开（公告）日：2006-11-15
• Discovery of thiophene inhibitors of polo-like kinase
  作者：Kyle A. Emmitte、C. Webb Andrews、Jennifer G. Badiang、Ronda G. Davis-Ward、Hamilton D. Dickson、David H. Drewry、Holly K. Emerson、Andrea H. Epperly、Daniel F. Hassler、Victoria B. Knick、Kevin W. Kuntz、Timothy J. Lansing、James A. Linn、Robert A. Mook、Kristen E. Nailor、James M. Salovich、Glenn M. Spehar、Mui Cheung

  DOI：10.1016/j.bmcl.2008.11.041

  日期：2009.2

  The discovery and development of a series of thiophenes as potent and selective inhibitors of PLK is described. Identification and characterization of 2, a useful in vitro PLK inhibitor tool compound, is also presented. (C) 2008 Elsevier Ltd. All rights reserved.