5-bromo-2-(4-methoxy-2-methylphenoxy)thiazole | 936247-40-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-bromo-2-(4-methoxy-2-methylphenoxy)thiazole
• CAS: 936247-40-4
• 化学式: C₁₁H₁₀BrNO₂S
• 分子量: 300.176
• InChiKey: SIVBAENGRHHNIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.01
• 重原子数：
  16.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  31.35
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  5-bromo-2-(4-methoxy-2-methylphenoxy)thiazole 在 三溴化硼 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 5-bromo-2-(4-isobutoxy-2-methylphenoxy)thiazole
  参考文献：
  名称：

  Phenoxy thiazole derivatives as potent and selective acetyl-CoA carboxylase 2 inhibitors: Modulation of isozyme selectivity by incorporation of phenyl ring substituents

  摘要：

  A phenyl ring substitution strategy was employed to optimize the ACC2 potency and selectivity profiles of a recently discovered phenoxy thiazolyl series of acetyl-CoA carboxylase inhibitors. Ring substituents were shown to dramatically affect isozyme selectivity. Modifications that generally impart high levels of ACC2 selectivity (> 3000-fold) while maintaining excellent ACC2 potency (IC(50)s similar to 9-20 nM) were identified. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.022
• 作为产物：
  描述：

  4-甲氧基苯酚 在 盐酸 、 正丁基锂 、 溴 、 sodium hydride 、 potassium carbonate 作用下， 以 甲醇 、 乙醚 、 正己烷 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 5-bromo-2-(4-methoxy-2-methylphenoxy)thiazole
  参考文献：
  名称：

  Phenoxy thiazole derivatives as potent and selective acetyl-CoA carboxylase 2 inhibitors: Modulation of isozyme selectivity by incorporation of phenyl ring substituents

  摘要：

  A phenyl ring substitution strategy was employed to optimize the ACC2 potency and selectivity profiles of a recently discovered phenoxy thiazolyl series of acetyl-CoA carboxylase inhibitors. Ring substituents were shown to dramatically affect isozyme selectivity. Modifications that generally impart high levels of ACC2 selectivity (> 3000-fold) while maintaining excellent ACC2 potency (IC(50)s similar to 9-20 nM) were identified. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.022