(2S)-2-Amino-3-{3-bromo-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid methyl ester | 870095-05-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-2-Amino-3-{3-bromo-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid methyl ester
• 英文别名: (2S)-2-amino-3-{3-bromo-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propionic acid methyl ester；methyl (2S)-2-amino-3-[3-bromo-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
• CAS: 870095-05-9
• 化学式: C₂₂H₂₃BrN₂O₄
• 分子量: 459.34
• InChiKey: JEMCURIHFJRLJP-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  87.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2S)-2-Amino-3-{3-bromo-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid methyl ester 、 N,N-bis(2-p-tolylsulfonyloxyethyl)aniline 在 六甲基磷酰三胺 、 碳酸氢钠 作用下， 生成
  参考文献：
  名称：

  (S)-3-(4-(2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)-2-(piperazin-1-yl)propanoic acid compounds: Synthesis and biological evaluation of dual PPARα/γ agonists

  摘要：

  A series of novel, potent PPAR alpha/gamma dual agonists were synthesized and appraised. The most potent analogue, compound 2b demonstrated EC50 value of 0.012 +/- 0.002 and 0.032 +/- 0.01 mu M, respectively, for hPPAR alpha and hPPAR gamma in transactivation assay. Additionally, compound 2b demonstrated good glucose and lipid lowering effect in genetic diabetic (db/db) mice. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.071
• 作为产物：
  描述：

  methyl (S)-3-(3-bromo-4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 (2S)-2-Amino-3-{3-bromo-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid methyl ester
  参考文献：
  名称：

  (S)-3-(4-(2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)-2-(piperazin-1-yl)propanoic acid compounds: Synthesis and biological evaluation of dual PPARα/γ agonists

  摘要：

  A series of novel, potent PPAR alpha/gamma dual agonists were synthesized and appraised. The most potent analogue, compound 2b demonstrated EC50 value of 0.012 +/- 0.002 and 0.032 +/- 0.01 mu M, respectively, for hPPAR alpha and hPPAR gamma in transactivation assay. Additionally, compound 2b demonstrated good glucose and lipid lowering effect in genetic diabetic (db/db) mice. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.071

文献信息

• Tyrosine Derivatives Substituted By N-Arylacryloyl as Agonists of Hppar Alpha and/or Hppar Gamma
  申请人：Li Song

  公开号：US20080300286A1

  公开（公告）日：2008-12-04

  The present invention relates to a compound of formula I, racemates, optically active isomers, or pharmaceutically acceptable salts or solvates thereof, and a pharmaceutical composition comprising the compound, the various radicals in the formula I are the same as defined in the claims. The present invention also relates to a process for preparing the compound of formula I and use of said compound in the preparation of a medicament for the treatment of hyperglycemia, dyslipidemia, type II diabetes mellitus including associated diabetic dyslipidemia

  本发明涉及公式I的化合物，其为外消旋体、光学异构体或其药学上可接受的盐或溶剂，以及包含该化合物的药物组合物，公式I中的各基团与权利要求书中定义的相同。本发明还涉及制备公式I的化合物的方法，以及使用该化合物制备治疗高血糖、血脂异常、2型糖尿病及相关糖尿病性血脂异常的药物的用途。
• Tyrosine derivatives substituted by N-arylacryloyl as agonists of hPPAR alpha and/or hPPAR gamma
  申请人：Beijing Molecule Science Technology Co., Ltd.

  公开号：US07781468B2

  公开（公告）日：2010-08-24

  The present invention relates to a compound of formula I, racemates, optically active isomers, or pharmaceutically acceptable salts or solvates thereof, and a pharmaceutical composition comprising the compound, the various radicals in the formula I are the same as defined in the claims. The present invention also relates to a process for preparing the compound of formula I and use of said compound in the preparation of a medicament for the treatment of hyperglycemia, dyslipidemia, type II diabetes mellitus including associated diabetic dyslipidemia

  本发明涉及公式I的化合物，其为外消旋体、光学活性异构体或其药学上可接受的盐或溶剂，以及包含该化合物的制药组合物，公式I中各基团的定义如权利要求中所述。本发明还涉及制备公式I化合物的方法，以及使用该化合物制备治疗高血糖、血脂异常、II型糖尿病及相关的糖尿病性血脂异常药物的用途。
• TYROSINE DERIVATIVES SUBSTITUTED BY N-PHENYLACRYLOYL AS AGONISTS OF HPPAR ALPHA AND HPPAR GAMA
  申请人：Beijing Molecule Science and Technology Co., Ltd.

  公开号：EP1757596B1

  公开（公告）日：2010-09-29
• US7781468B2
  申请人：——

  公开号：US7781468B2

  公开（公告）日：2010-08-24