6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl)phenoxy)-2,2-dimethylhexanoic acid

• 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: 6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl)phenoxy)-2,2-dimethylhexanoic acid
• 英文别名: Synthesis of 6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl)phenoxy)-2,2-dimethylhexanoic acid；6-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]-2,2-dimethylhexanoic acid
• 化学式: C₂₇H₃₁NO₅
• 分子量: 449.547
• InChiKey: RDTZXAYSBVNVKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  80
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-羟基-N-甲基苄胺盐酸盐 在 potassium carbonate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl)phenoxy)-2,2-dimethylhexanoic acid
  参考文献：
  名称：

  Novel highly selective peroxisome proliferator-activated receptor δ (PPARδ) modulators with pharmacokinetic properties suitable for once-daily oral dosing

  摘要：

  Optimization of benzamide PPAR delta modulator 1 led to (E)-6-(2-((4-(furan-2-yl)-N-methylbenzamido) methyl) phenoxy)-4-methylhex-4-enoic acid (18), a potent selective PPAR delta modulator with significantly improved exposure in multiple species following oral administration. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2017.10.037

文献信息

• PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof
  申请人：Mitobridge, Inc.

  公开号：US10188627B2

  公开（公告）日：2019-01-29

  Provided herein are compounds of formula (I) useful for the treatment of PPAR-delta related diseases (e.g. mitochondrial diseases, muscular diseases, vascular diseases, demyelinating diseases and metabolic diseases).

  本文提供的式 (I) 化合物可用于治疗 PPAR-delta 相关疾病（如线粒体疾病、肌肉疾病、血管疾病、脱髓鞘疾病和代谢性疾病）。
• PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  申请人：Mitobridge, Inc.

  公开号：US20170304255A1

  公开（公告）日：2017-10-26

  Provided herein are compounds of formula (I) useful for the treatment of PPAR-delta related diseases (e.g. mitochondrial diseases, muscular diseases, vascular diseases, demyelinating diseases and metabolic diseases).
• [EN] PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF<br/>[FR] AGONISTES, COMPOSÉS, COMPOSITIONS PHARMACEUTIQUES PPAR ET MÉTHODES D'UTILISATION DE CEUX-CI
  申请人：MITOBRIDGE INC

  公开号：WO2016057660A1

  公开（公告）日：2016-04-14

  Provided herein are compounds of formula (I) useful for the treatment of PPAR-delta related diseases (e.g. mitochondrial diseases, muscular diseases, vascular diseases, demyelinating diseases and metabolic diseases).
• Novel highly selective peroxisome proliferator-activated receptor δ (PPARδ) modulators with pharmacokinetic properties suitable for once-daily oral dosing
  作者：Bharat Lagu、Arthur F. Kluge、Ross A. Fredenburg、Effie Tozzo、Ramesh S. Senaiar、Mahaboobi Jaleel、Sunil K. Panigrahi、Nirbhay K. Tiwari、Narasimha R. Krishnamurthy、Taisuke Takahashi、Michael A. Patane

  DOI：10.1016/j.bmcl.2017.10.037

  日期：2017.12

  Optimization of benzamide PPAR delta modulator 1 led to (E)-6-(2-((4-(furan-2-yl)-N-methylbenzamido) methyl) phenoxy)-4-methylhex-4-enoic acid (18), a potent selective PPAR delta modulator with significantly improved exposure in multiple species following oral administration. (C) 2017 Elsevier Ltd. All rights reserved.