{4-[2-(4-butyryl-phenoxy)-3-(4-trifluoromethyl-phenoxy)-propylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester | 851529-13-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: {4-[2-(4-butyryl-phenoxy)-3-(4-trifluoromethyl-phenoxy)-propylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester
• 英文别名: Ethyl 2-[4-[2-(4-butanoylphenoxy)-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methylphenoxy]acetate
• CAS: 851529-13-0
• 化学式: C₃₁H₃₃F₃O₆S
• 分子量: 590.661
• InChiKey: UWPLPVVXQDZYHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  41
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  96.4
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  {4-[2-(4-butyryl-phenoxy)-3-(4-trifluoromethyl-phenoxy)-propylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 {4-[2-(4-butyryl-phenoxy)-3-(4-trifluoromethyl-phenoxy)-propylsulfanyl]-2-methyl-phenoxy}-acetic acid
  参考文献：
  名称：

  Discovery of para-alkylthiophenoxyacetic acids as a novel series of potent and selective PPARδ agonists

  摘要：

  A novel series of potent and selective PPAR delta agonists, para-alkylthiophenoxyacetic acids, was identified. The synthesis and structure-activity relationships are described. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.007
• 作为产物：
  描述：

  对三氟甲基苯酚 在 四丁基氟化铵 、 caesium carbonate 、 三苯基膦 、 1,1'-azodicarbonyl-dipiperidine 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 {4-[2-(4-butyryl-phenoxy)-3-(4-trifluoromethyl-phenoxy)-propylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester
  参考文献：
  名称：

  Discovery of para-alkylthiophenoxyacetic acids as a novel series of potent and selective PPARδ agonists

  摘要：

  A novel series of potent and selective PPAR delta agonists, para-alkylthiophenoxyacetic acids, was identified. The synthesis and structure-activity relationships are described. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.007

文献信息

• 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs
  申请人：Kuo Gee-Hong

  公开号：US20050124698A1

  公开（公告）日：2005-06-09

  The invention features 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs, compositions containing them, and methods of using them as PPAR delta modulators to treat or inhibit the progression of, for example, dyslipidemia.

  本发明的特点是 4-((苯氧基烷基)硫基)-苯氧基乙酸及类似物、含有它们的组合物以及将它们用作 PPAR delta 调节剂以治疗或抑制血脂异常等疾病进展的方法。
• [EN] 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS<br/>[FR] ACIDES 4-((PHENOXYALKYL)THIO)-PHENOXYACETIQUES ET ANALOGUES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005042478A3

  公开（公告）日：2005-07-21
• 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1667964A2

  公开（公告）日：2006-06-14
• 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS
  申请人：Kuo Gee-Hong

  公开号：US20120122988A1

  公开（公告）日：2012-05-17

  The invention features 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs, compositions containing them, and methods of using them as PPAR delta modulators to treat or inhibit the progression of, for example, dyslipidemia.
• US7301050B2
  申请人：——

  公开号：US7301050B2

  公开（公告）日：2007-11-27