3-[ethoxyimino]-2-[4-(5-methyl-2-phenyloxazole-4-ylmethoxy)-benzyl]-butyric acid methyl ester | 851180-54-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[ethoxyimino]-2-[4-(5-methyl-2-phenyloxazole-4-ylmethoxy)-benzyl]-butyric acid methyl ester
• 英文别名: Methyl 3-ethoxyimino-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoate；methyl 3-ethoxyimino-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoate
• CAS: 851180-54-6
• 化学式: C₂₅H₂₈N₂O₅
• 分子量: 436.508
• InChiKey: DKAHACIEQSLIME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  83.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-[ethoxyimino]-2-[4-(5-methyl-2-phenyloxazole-4-ylmethoxy)-benzyl]-butyric acid methyl ester 在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 3-[ethoxyimino]-2-[4-(5-methyl-2-phenyloxazole-4-ylmethoxy)-benzyl]-butyric acid
  参考文献：
  名称：

  Design and synthesis of oxime ethers of α-acyl-β-phenylpropanoic acids as PPAR dual agonists

  摘要：

  Oxime ethers of alpha-acyl-(3-phenylpropanoic acids were prepared to apply as PPAR alpha and gamma dual agonists. Among them, compound 111 proved to exhibit potent in vitro activities with EC50 of 19 and 13 nM in PPAR alpha and gamma, respectively. It showed better glucose lowering effects than rosiglitazone 1 and ameliorated the lipid profile like plasma triglyceride in dbldb mice model. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.050
• 作为产物：
  描述：

  methyl 2-(4-hydroxybenzyl)-3-oxobutanoate 在 sodium acetate 、 caesium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 3-[ethoxyimino]-2-[4-(5-methyl-2-phenyloxazole-4-ylmethoxy)-benzyl]-butyric acid methyl ester
  参考文献：
  名称：

  Design and synthesis of oxime ethers of α-acyl-β-phenylpropanoic acids as PPAR dual agonists

  摘要：

  Oxime ethers of alpha-acyl-(3-phenylpropanoic acids were prepared to apply as PPAR alpha and gamma dual agonists. Among them, compound 111 proved to exhibit potent in vitro activities with EC50 of 19 and 13 nM in PPAR alpha and gamma, respectively. It showed better glucose lowering effects than rosiglitazone 1 and ameliorated the lipid profile like plasma triglyceride in dbldb mice model. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.050

文献信息

• Design and synthesis of oxime ethers of α-acyl-β-phenylpropanoic acids as PPAR dual agonists
  作者：Hee Oon Han、Seung Hae Kim、Kyoung-Hee Kim、Gwong-Cheung Hur、Hyeon Joo Yim、Hee-Kyung Chung、Sung Ho Woo、Ki Dong Koo、Chang-Seok Lee、Jong Sung Koh、Geun Tae Kim

  DOI：10.1016/j.bmcl.2006.11.050

  日期：2007.2

  Oxime ethers of alpha-acyl-(3-phenylpropanoic acids were prepared to apply as PPAR alpha and gamma dual agonists. Among them, compound 111 proved to exhibit potent in vitro activities with EC50 of 19 and 13 nM in PPAR alpha and gamma, respectively. It showed better glucose lowering effects than rosiglitazone 1 and ameliorated the lipid profile like plasma triglyceride in dbldb mice model. (c) 2006 Elsevier Ltd. All rights reserved.