Methyl 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-phenylacetate | 449779-49-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-phenylacetate
• CAS: 449779-49-1
• 化学式: C₂₃H₂₄F₃NO₄
• 分子量: 435.443
• InChiKey: BFFPEZQUZOPFCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  61.6
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Methyl 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-phenylacetate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 (5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6-yloxy)-phenyl-acetic acid
  参考文献：
  名称：

  O-Arylmandelic acids as highly selective human PPAR α/γ agonists

  摘要：

  A new class of O-arylmandelic acid PPAR agonists show excellent anti-hyperglycemic efficacy in a db/db mouse model of DM2. These PPARalpha-weighted agonists do not show the typical PPARgamma associated side effects of BAT proliferation and cardiac hypertrophy in a rat tolerability assay. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00702-9
• 作为产物：
  描述：

  2,4-di-n-propylbenzene-1,3-diol 在 吡啶 、 三氯化铝 、 盐酸羟胺 、 sodium acetate 、 caesium carbonate 作用下， 以 二氯甲烷 为溶剂， 生成 Methyl 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-phenylacetate
  参考文献：
  名称：

  O-Arylmandelic acids as highly selective human PPAR α/γ agonists

  摘要：

  A new class of O-arylmandelic acid PPAR agonists show excellent anti-hyperglycemic efficacy in a db/db mouse model of DM2. These PPARalpha-weighted agonists do not show the typical PPARgamma associated side effects of BAT proliferation and cardiac hypertrophy in a rat tolerability assay. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00702-9

文献信息

• 2-Aryloxy-2arylalkanoic acids for diabetes and lipid disorders
  申请人：——

  公开号：US20040092596A1

  公开（公告）日：2004-05-13

  A class of 2-aryloxy-2-arylalkanoic acids comprises compounds that are potent agonists of PPAR alpha and/or gamma, and are therefore useful in the treatment, control or prevention of non-insulin dependent diabetes mellitus (NIDDM), hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, atherosclerosis, obesity, vascular restenosis, inflammation, and other PPAR alpha and/or gamma mediated diseases, disorders and conditions.

  一类2-芳氧基-2-芳基脂肪酸是PPAR alpha和/或gamma的有效激动剂，因此可用于治疗、控制或预防非胰岛素依赖性糖尿病（NIDDM）、高血糖、脂质代谢异常、高脂血症、高胆固醇血症、高三酰甘油血症、动脉粥样硬化、肥胖症、血管再狭窄、炎症和其他PPAR alpha和/或gamma介导的疾病、疾病和病况。
• 2-Aryloxy-2-arylalkanoic acids for diabetes and lipid disorders
  申请人：Adams D. Alan

  公开号：US20060122242A1

  公开（公告）日：2006-06-08

  A class of 2-aryloxy-2-arylalkanoic acids comprises compounds that are potent agonists of PPAR alpha and/or gamma, and are therefore useful in the treatment, control or prevention of non-insulin dependent diabetes mellitus (NIDDM), hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, atherosclerosis, obesity, vascular restenosis, inflammation, and other PPAR alpha and/or gamma mediated diseases, disorders and conditions.

  一类2-芳氧基-2-芳基脂肪酸是一种强效PPAR alpha和/或gamma激动剂，因此可用于治疗、控制或预防非胰岛素依赖性糖尿病（NIDDM）、高血糖、失调脂质代谢、高脂血症、高胆固醇血症、高三酰甘油血症、动脉粥样硬化、肥胖症、血管再狭窄、炎症和其他PPAR alpha和/或gamma介导的疾病、疾病和状况。
• US7091230B2
  申请人：——

  公开号：US7091230B2

  公开（公告）日：2006-08-15
• US7495020B2
  申请人：——

  公开号：US7495020B2

  公开（公告）日：2009-02-24
• O-Arylmandelic acids as highly selective human PPAR α/γ agonists
  作者：Alan D Adams、Zao Hu、Derek von Langen、Adonis Dadiz、Alex Elbrecht、Karen L MacNaul、Joel P Berger、Gaochao Zhou、Thomas W Doebber、Roger Meurer、Michael J Forrest、David E Moller、A Brian Jones

  DOI：10.1016/s0960-894x(03)00702-9

  日期：2003.10

  A new class of O-arylmandelic acid PPAR agonists show excellent anti-hyperglycemic efficacy in a db/db mouse model of DM2. These PPARalpha-weighted agonists do not show the typical PPARgamma associated side effects of BAT proliferation and cardiac hypertrophy in a rat tolerability assay. (C) 2003 Elsevier Ltd. All rights reserved.