2-amino-N-(4-methylthiazol-2-yl)-5-(phenylthio)benzamide | 1146340-39-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-amino-N-(4-methylthiazol-2-yl)-5-(phenylthio)benzamide
• 英文别名: 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenylsulfanylbenzamide
• CAS: 1146340-39-7
• 化学式: C₁₇H₁₅N₃OS₂
• 分子量: 341.458
• InChiKey: PRUWOCJLEGVIOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-(4-methylthiazol-2-yl)-2-nitro-5-(phenylthio)benzamide 在 铁粉 、 氯化铵 作用下， 以 水 、 异丙醇 为溶剂， 生成 2-amino-N-(4-methylthiazol-2-yl)-5-(phenylthio)benzamide
  参考文献：
  名称：

  Identification of novel and potent 2-amino benzamide derivatives as allosteric glucokinase activators

  摘要：

  The identification and structure-activity-relationships (SARs) of novel 2-amino benzamide glucokinase activators are described. Compounds in this series were developed to be potent GK activators, and their binding mode to the GK protein was determined by crystal structure analysis. In vivo pharmacokinetic and acute in vivo efficacy studies of compound 18 are also described.

  DOI：

  10.1016/j.bmcl.2009.01.053

文献信息

• Identification of novel and potent 2-amino benzamide derivatives as allosteric glucokinase activators
  作者：Teruyuki Nishimura、Tomoharu Iino、Morihiro Mitsuya、Makoto Bamba、Hitomi Watanabe、Daisuke Tsukahara、Kenji Kamata、Kaori Sasaki、Sumika Ohyama、Hideka Hosaka、Mayumi Futamura、Yasufumi Nagata、Jun-ichi Eiki

  DOI：10.1016/j.bmcl.2009.01.053

  日期：2009.3

  The identification and structure-activity-relationships (SARs) of novel 2-amino benzamide glucokinase activators are described. Compounds in this series were developed to be potent GK activators, and their binding mode to the GK protein was determined by crystal structure analysis. In vivo pharmacokinetic and acute in vivo efficacy studies of compound 18 are also described.