(R)-{4-[2-hydroxy-3-(4-trifluoromethyl-phenoxy)-propylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester | 851528-81-9

• 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: (R)-{4-[2-hydroxy-3-(4-trifluoromethyl-phenoxy)-propylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester
• 英文别名: ethyl 2-[4-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methylphenoxy]acetate
• CAS: 851528-81-9
• 化学式: C₂₁H₂₃F₃O₅S
• 分子量: 444.472
• InChiKey: IAFNNNODBKZQCC-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  90.3
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (R)-{4-[2-hydroxy-3-(4-trifluoromethyl-phenoxy)-propylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester 生成 (R)-{4-[2-ethoxy-3-(4-trifluoromethyl-phenoxy)-propylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester
  参考文献：
  名称：

  NOVEL LYSINE SALTS OF 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACID DERIVATIVES

  摘要：

  本发明涉及一种新型赖氨酸盐、含有它们的药物组合物以及它们在治疗由PPAR delta调节的疾病和病状中的应用。本发明还涉及一种制备上述赖氨酸盐的新型过程。

  公开号：

  US20070060649A1
• 作为产物：
  描述：

  对三氟甲基苯酚 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 生成 (R)-{4-[2-hydroxy-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：Janssen Pharmaceutica NV

  公开号：US20160199342A1

  公开（公告）日：2016-07-14

  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.

  这项发明涉及4-((苯氧烷基)硫基)-苯氧乙酸及其类似物、包含它们的组合物，以及使用它们作为PPARδ调节剂的方法，用于治疗或抑制例如脂质代谢异常等疾病的进展。
• NOVEL LYSINE SALTS OF 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACID DERIVATIVES
  申请人：Abdel-Magid F. Ahmed

  公开号：US20070060649A1

  公开（公告）日：2007-03-15

  The present invention is directed to a novel lysine salts, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by PPAR delta. The present invention is further directed to a novel process for the preparation of said lysine salts,

  本发明涉及一种新型赖氨酸盐、含有它们的药物组合物以及它们在治疗由PPAR delta调节的疾病和病状中的应用。本发明还涉及一种制备上述赖氨酸盐的新型过程。
• [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：Kuo Gee-Hong

  公开号：US20080085927A1

  公开（公告）日：2008-04-10

  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