Tert-butyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylamino]acetate | 331746-63-5

• 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: Tert-butyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylamino]acetate
• 英文别名: tert-butyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylamino]acetate
• CAS: 331746-63-5
• 化学式: C₂₅H₃₀N₂O₄
• 分子量: 422.524
• InChiKey: FGLQNCHJNCMGCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  73.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Tert-butyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylamino]acetate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-[[4-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylamino]acetic acid
  参考文献：
  名称：

  Discovery of tertiary aminoacids as dual PPARα/γ agonists-I

  摘要：

  A novel series of potent dual agonists of PPAR alpha and PPAR gamma, the alkoxybenzylglycines, was identified and explored using a solution-phase library approach. The synthesis and structure-activity relationships of this series of dual PPAR alpha/gamma agonists are described. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.060
• 作为产物：
  描述：

  2-(5-甲基-2-苯基-1,3-恶唑-4-基)乙基甲烷磺酸酯 在 sodium tetrahydroborate 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 Tert-butyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylamino]acetate
  参考文献：
  名称：

  Discovery of tertiary aminoacids as dual PPARα/γ agonists-I

  摘要：

  A novel series of potent dual agonists of PPAR alpha and PPAR gamma, the alkoxybenzylglycines, was identified and explored using a solution-phase library approach. The synthesis and structure-activity relationships of this series of dual PPAR alpha/gamma agonists are described. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.060

文献信息

• US7241780B2
  申请人：——

  公开号：US7241780B2

  公开（公告）日：2007-07-10
• US7579479B2
  申请人：——

  公开号：US7579479B2

  公开（公告）日：2009-08-25
• Discovery of tertiary aminoacids as dual PPARα/γ agonists-I
  作者：Pratik V. Devasthale、Sean Chen、Yoon Jeon、Fucheng Qu、Denis E. Ryono、Wei Wang、Hao Zhang、Lin Cheng、Dennis Farrelly、Rajasree Golla、Gary Grover、Zhengping Ma、Lisa Moore、Ramakrishna Seethala、Wei Sun、Arthur M. Doweyko、Gamini Chandrasena、Paul Sleph、Narayanan Hariharan、Peter T.W. Cheng

  DOI：10.1016/j.bmcl.2007.01.060

  日期：2007.4

  A novel series of potent dual agonists of PPAR alpha and PPAR gamma, the alkoxybenzylglycines, was identified and explored using a solution-phase library approach. The synthesis and structure-activity relationships of this series of dual PPAR alpha/gamma agonists are described. (c) 2007 Elsevier Ltd. All rights reserved.