5-[4-(3-phenylphenyl)thieno[2,3-c]pyridin-2-yl]-1H-1,2,3,4-tetrazole | 1153577-19-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-[4-(3-phenylphenyl)thieno[2,3-c]pyridin-2-yl]-1H-1,2,3,4-tetrazole
• 英文别名: 4-(3-phenylphenyl)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
• CAS: 1153577-19-5
• 化学式: C₂₀H₁₃N₅S
• 分子量: 355.423
• InChiKey: STRITJLAEWKALT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  95.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carbonitrile 在 sodium azide 、 氯化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 5-[4-(3-phenylphenyl)thieno[2,3-c]pyridin-2-yl]-1H-1,2,3,4-tetrazole
  参考文献：
  名称：

  Identification of a selective thieno[2,3-c]pyridine inhibitor of COT kinase and TNF-α production

  摘要：

  COT (Tpl2 in mice) is a serine/threonine MAP3 kinase that regulates production of TNF-alpha and other pro-inflammatory cytokines such as IL-1 beta via the ERK/MAP kinase pathway. As TNF-alpha and IL-1 beta are clinically validated targets for therapeutic intervention in rheumatoid arthritis (RA), blocking COT provides a potential avenue for amelioration of disease. Herein we describe identification of a cellular active selective small molecule inhibitor of COT kinase. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.088

文献信息

• Identification of a selective thieno[2,3-c]pyridine inhibitor of COT kinase and TNF-α production
  作者：Kevin Cusack、Hamish Allen、Agnieszka Bischoff、Anca Clabbers、Richard Dixon、Shannon Fix-Stenzel、Michael Friedman、Yvette Gaumont、Dawn George、Thomas Gordon、Pintipa Grongsaard、Bernd Janssen、Yong Jia、Maria Moskey、Christopher Quinn、Andres Salmeron、Christine Thomas、Grier Wallace、Neil Wishart、Zhengtian Yu

  DOI：10.1016/j.bmcl.2009.01.088

  日期：2009.3

  COT (Tpl2 in mice) is a serine/threonine MAP3 kinase that regulates production of TNF-alpha and other pro-inflammatory cytokines such as IL-1 beta via the ERK/MAP kinase pathway. As TNF-alpha and IL-1 beta are clinically validated targets for therapeutic intervention in rheumatoid arthritis (RA), blocking COT provides a potential avenue for amelioration of disease. Herein we describe identification of a cellular active selective small molecule inhibitor of COT kinase. (C) 2009 Elsevier Ltd. All rights reserved.