5-(2-methoxyethyl)-4-methyl-N-(5-(methylthio)thiazol-2-ylcarbamoyl)thiophene-2-sulfonamide | 1207714-36-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-(2-methoxyethyl)-4-methyl-N-(5-(methylthio)thiazol-2-ylcarbamoyl)thiophene-2-sulfonamide
• 英文别名: 1-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(5-methylsulfanyl-1,3-thiazol-2-yl)urea
• CAS: 1207714-36-0
• 化学式: C₁₃H₁₇N₃O₄S₄
• 分子量: 407.56
• InChiKey: UMTVKAYORCMVTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  188
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5-(甲基硫代)-2-噻唑胺 、 在 甲烷磺酸 作用下， 生成 5-(2-methoxyethyl)-4-methyl-N-(5-(methylthio)thiazol-2-ylcarbamoyl)thiophene-2-sulfonamide
  参考文献：
  名称：

  Sulfonylureido thiazoles as fructose-1,6-bisphosphatase inhibitors for the treatment of Type-2 diabetes

  摘要：

  Sulfonylureido thiazoles were identified from a HTS campaign and optimized through a combination of structure-activity studies, X-ray crystallography and molecular modeling to yield potent inhibitors of fructose-1,6-bisphosphatase. Compound 12 showed favorable ADME properties, for example, F=70%, and a robust 32% glucose reduction in the acute db/db mouse model for Type-2 diabetes.

  DOI：

  10.1016/j.bmcl.2009.11.093

文献信息

• Sulfonylureido thiazoles as fructose-1,6-bisphosphatase inhibitors for the treatment of Type-2 diabetes
  作者：Eric Kitas、Peter Mohr、Bernd Kuhn、Paul Hebeisen、Hans Peter Wessel、Wolfgang Haap、Armin Ruf、Jörg Benz、Catherine Joseph、Walter Huber、Ruben Alvarez Sanchez、Axel Paehler、Agnes Benardeau、Marcel Gubler、Brigitte Schott、Effie Tozzo

  DOI：10.1016/j.bmcl.2009.11.093

  日期：2010.1

  Sulfonylureido thiazoles were identified from a HTS campaign and optimized through a combination of structure-activity studies, X-ray crystallography and molecular modeling to yield potent inhibitors of fructose-1,6-bisphosphatase. Compound 12 showed favorable ADME properties, for example, F=70%, and a robust 32% glucose reduction in the acute db/db mouse model for Type-2 diabetes.