5-(2-methoxy-ethyl)-4-methyl-thiophene-2-sulfonic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 5-(2-methoxy-ethyl)-4-methyl-thiophene-2-sulfonic acid
• 英文别名: 5-(2-Methoxyethyl)-4-methylthiophene-2-sulfonic acid；5-(2-methoxyethyl)-4-methylthiophene-2-sulfonic acid
• 化学式: C₈H₁₂O₄S₂
• 分子量: 236.313
• InChiKey: NXIMPJBUAZZXKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(2-methoxy-ethyl)-4-methyl-thiophene-2-sulfonic acid 在 氯化亚砜 、 氨 作用下， 以 四氢呋喃 为溶剂， 生成 N-(6-bromo-1H-indazol-4-ylcarbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
  参考文献：
  名称：

  Orally active aminopyridines as inhibitors of tetrameric fructose-1,6-bisphosphatase

  摘要：

  A novel sulfonylureido pyridine series exemplified by compound 19 yielded potent inhibitors of FBPase showing significant glucose reduction and modest glycogen lowering in the acute db/db mouse model for Type-2 diabetes. Our inhibitors occupy the allosteric binding site and also extend into the dyad interface region of tetrameric FBPase. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.044
• 作为产物：
  描述：

  2-溴-3-甲基噻吩 在 三氧化硫 、 magnesium 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 生成 5-(2-methoxy-ethyl)-4-methyl-thiophene-2-sulfonic acid
  参考文献：
  名称：

  Orally active aminopyridines as inhibitors of tetrameric fructose-1,6-bisphosphatase

  摘要：

  A novel sulfonylureido pyridine series exemplified by compound 19 yielded potent inhibitors of FBPase showing significant glucose reduction and modest glycogen lowering in the acute db/db mouse model for Type-2 diabetes. Our inhibitors occupy the allosteric binding site and also extend into the dyad interface region of tetrameric FBPase. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.044

文献信息

• Orally active aminopyridines as inhibitors of tetrameric fructose-1,6-bisphosphatase
  作者：Paul Hebeisen、Wolfgang Haap、Bernd Kuhn、Peter Mohr、Hans Peter Wessel、Ulrich Zutter、Stephan Kirchner、Armin Ruf、Jörg Benz、Catherine Joseph、Rubén Alvarez-Sánchez、Marcel Gubler、Brigitte Schott、Agnes Benardeau、Effie Tozzo、Eric Kitas

  DOI：10.1016/j.bmcl.2011.04.044

  日期：2011.6

  A novel sulfonylureido pyridine series exemplified by compound 19 yielded potent inhibitors of FBPase showing significant glucose reduction and modest glycogen lowering in the acute db/db mouse model for Type-2 diabetes. Our inhibitors occupy the allosteric binding site and also extend into the dyad interface region of tetrameric FBPase. (C) 2011 Elsevier Ltd. All rights reserved.