tert-Butyl 2-[4-[[[2-[(2,4-dimethylphenyl)amino]-2-oxoethyl](2-furanylmethyl)-amino]methyl]phenoxy]-2-methyl-propanoate | 409096-50-0

• 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-[(2,4-dimethylphenyl)amino]-2-oxoethyl](2-furanylmethyl)-amino]methyl]phenoxy]-2-methyl-propanoate
• 英文别名: tert-butyl 2-[4-[[[2-(2,4-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]phenoxy]-2-methylpropanoate
• CAS: 409096-50-0
• 化学式: C₃₀H₃₈N₂O₅
• 分子量: 506.642
• InChiKey: SQXGFIGDSMWRQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  81
• 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-[(2,4-dimethylphenyl)amino]-2-oxoethyl](2-furanylmethyl)-amino]methyl]phenoxy]-2-methyl-propanoate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以82%的产率得到2-[4-[[[2-[(2,4-Dimethylphenyl)amino]-2-oxoethyl](2-furanylmethyl)amino]-methyl]phenoxy]-2-methyl-propionic Acid
  参考文献：
  名称：

  Glycine amides as PPARα agonists

  摘要：

  The design, synthesis and pharmacological properties of a novel class of PPAR alpha agonists is described. Compound 2 is a novel, potent and specific glycine amide with oral bioavailability in rodents. The compound is active in vivo and alters plasma lipids in hAPO-A1 transgenic mice after oral administration. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.019
• 作为产物：
  描述：

  tert-Butyl 2-[4-[[(carboxymethyl)(2-furanylmethyl)amino]methyl]phenoxy]-2-methyl-propanoate 、 2,4-二甲基苯胺 在 N-甲基吗啉 、 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 反应 12.0h， 以78%的产率得到tert-Butyl 2-[4-[[[2-[(2,4-dimethylphenyl)amino]-2-oxoethyl](2-furanylmethyl)-amino]methyl]phenoxy]-2-methyl-propanoate
  参考文献：
  名称：

  Glycine amides as PPARα agonists

  摘要：

  The design, synthesis and pharmacological properties of a novel class of PPAR alpha agonists is described. Compound 2 is a novel, potent and specific glycine amide with oral bioavailability in rodents. The compound is active in vivo and alters plasma lipids in hAPO-A1 transgenic mice after oral administration. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.019

文献信息

• Propionic acid derivatives
  申请人：——

  公开号：US20030187041A1

  公开（公告）日：2003-10-02

  This invention relates to novel potent PPAR-alpha-activating compounds which are useful in the treatment of diseases such as coronary heart disease. The invention also relates to methods of preparation of PPAR-alpha-activating compounds.

  本发明涉及一种新的有效的PPAR-alpha激活化合物，可用于治疗冠心病等疾病。本发明还涉及PPAR-alpha激活化合物的制备方法。
• Glycine amides as PPARα agonists
  作者：Klaus Urbahns、Michael Woltering、Susanne Nikolic、Josef Pernerstorfer、Hilmar Bischoff、Elke Dittrich-Wengenroth、Klemens Lustig

  DOI：10.1016/j.bmcl.2010.04.019

  日期：2010.6

  The design, synthesis and pharmacological properties of a novel class of PPAR alpha agonists is described. Compound 2 is a novel, potent and specific glycine amide with oral bioavailability in rodents. The compound is active in vivo and alters plasma lipids in hAPO-A1 transgenic mice after oral administration. (C) 2010 Elsevier Ltd. All rights reserved.