(R)-4-(benzo[b]thiophen-2-yl)-N2-(3-methylbutan-2-yl)-N6-(2-(pyridin-2-yl)ethyl)pyridine-2,6-dicarboxamide | 1355594-87-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (R)-4-(benzo[b]thiophen-2-yl)-N2-(3-methylbutan-2-yl)-N6-(2-(pyridin-2-yl)ethyl)pyridine-2,6-dicarboxamide
• 英文别名: 4-(1-benzothiophen-2-yl)-6-N-[(2R)-3-methylbutan-2-yl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide
• CAS: 1355594-87-4
• 化学式: C₂₇H₂₈N₄O₂S
• 分子量: 472.611
• InChiKey: UAXRKPNQPBCKPS-GOSISDBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苯并噻吩-2-硼酸 在 四(三苯基膦)钯 、 碳酸氢钠 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 77.75h， 生成 (R)-4-(benzo[b]thiophen-2-yl)-N2-(3-methylbutan-2-yl)-N6-(2-(pyridin-2-yl)ethyl)pyridine-2,6-dicarboxamide
  参考文献：
  名称：

  STAT6 phosphorylation inhibitors block eotaxin-3 secretion in bronchial epithelial cells

  摘要：

  The STAT6 (signal transducer and activator of transcription 6) protein facilitates T-helper cell 2 (Th2) mediated responses that control IgE-mediated atopic diseases such as asthma. We have identified compounds that bind to STAT6 and inhibit STAT6 tyrosine phosphorylation induced by IL-4. In the bronchial epithelial cell line BEAS-2B, compound (R)-84 inhibits the secretion of eotaxin-3, a chemokine eliciting eosinophil infiltration. (R)-84 appears to prevent STAT6 from assuming the active dimer configuration by directly binding the protein and inhibiting tyrosine phosphorylation. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.12.006

文献信息

• STAT6 phosphorylation inhibitors block eotaxin-3 secretion in bronchial epithelial cells
  作者：Li Zhou、Tomohiko Kawate、Xiaorong Liu、Young Bae Kim、Yajuan Zhao、Guohong Feng、Julian Banerji、Huw Nash、Charles Whitehurst、Satish Jindal、Arshad Siddiqui、Brian Seed、Jia L. Wolfe

  DOI：10.1016/j.bmc.2011.12.006

  日期：2012.1

  The STAT6 (signal transducer and activator of transcription 6) protein facilitates T-helper cell 2 (Th2) mediated responses that control IgE-mediated atopic diseases such as asthma. We have identified compounds that bind to STAT6 and inhibit STAT6 tyrosine phosphorylation induced by IL-4. In the bronchial epithelial cell line BEAS-2B, compound (R)-84 inhibits the secretion of eotaxin-3, a chemokine eliciting eosinophil infiltration. (R)-84 appears to prevent STAT6 from assuming the active dimer configuration by directly binding the protein and inhibiting tyrosine phosphorylation. (C) 2011 Elsevier Ltd. All rights reserved.