tert-butyl 2-methyl-2-(3-((2-(4-methylbenzoyl)-1H-benzo[d]imidazol-1-yl)methyl)phenoxy)propanoate | 1290176-58-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl 2-methyl-2-(3-((2-(4-methylbenzoyl)-1H-benzo[d]imidazol-1-yl)methyl)phenoxy)propanoate
• CAS: 1290176-58-7
• 化学式: C₃₀H₃₂N₂O₄
• 分子量: 484.595
• InChiKey: QDIGTNYBKWHMAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.12
• 重原子数：
  36.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  70.42
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-methyl-2-(3-((2-(4-methylbenzoyl)-1H-benzo[d]imidazol-1-yl)methyl)phenoxy)propanoate 在 三氟乙酸 作用下， 以 氯仿 为溶剂， 生成 2-methyl-2-(3-((2-(4-methylbenzoyl)-1H-benzo[d]imidazol-1-yl)methyl)phenoxy)propanoic acid
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of novel benzoylazole-based PPAR α/γ activators

  摘要：

  In our search for new PPAR alpha/gamma agonists, we designed and synthesized a series of benzoylazole-based carboxylic acids. Compound 9 showed potent PPAR gamma partial agonistic activity with modest PPAR alpha agonistic activity. The sodium salt of 9 (9Na) demonstrated potent efficacy in lowering both blood glucose and lipids in an animal model without causing significant body weight gain, a well-known side effect associated with PPAR gamma full agonists. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.032
• 作为产物：
  描述：

  苯并咪唑 在 偶氮二甲酸二异丙酯 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 吡啶 为溶剂， 生成 tert-butyl 2-methyl-2-(3-((2-(4-methylbenzoyl)-1H-benzo[d]imidazol-1-yl)methyl)phenoxy)propanoate
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of novel benzoylazole-based PPAR α/γ activators

  摘要：

  In our search for new PPAR alpha/gamma agonists, we designed and synthesized a series of benzoylazole-based carboxylic acids. Compound 9 showed potent PPAR gamma partial agonistic activity with modest PPAR alpha agonistic activity. The sodium salt of 9 (9Na) demonstrated potent efficacy in lowering both blood glucose and lipids in an animal model without causing significant body weight gain, a well-known side effect associated with PPAR gamma full agonists. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.032