{4-[2-(3,4-dichloro-phenoxymethyl)-allylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester | 849442-31-5

• 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: {4-[2-(3,4-dichloro-phenoxymethyl)-allylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester
• 英文别名: Ethyl 2-[4-[2-[(3,4-dichlorophenoxy)methyl]prop-2-enylsulfanyl]-2-methylphenoxy]acetate
• CAS: 849442-31-5
• 化学式: C₂₁H₂₂Cl₂O₄S
• 分子量: 441.375
• InChiKey: OGTKDRXTJFYHGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  28
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  70.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  {4-[2-(3,4-dichloro-phenoxymethyl)-allylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester 在 lithium hydroxide 作用下， 生成 {4-[2-(3,4-dichloro-phenoxymethyl)-allylsulfanyl]-2-methyl-phenoxy}-acetic acid
  参考文献：
  名称：

  Discovery and SAR of para-alkylthiophenoxyacetic acids as potent and selective PPARδ agonists

  摘要：

  Synthesis and SAR of para-alkylthiophenoxyacetic acids is described. Achiral compounds 30, 31 and 32 were identified as potent and selective PPARd agonists. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.113
• 作为产物：
  描述：

  1,2-Dichloro-4-[2-(chloromethyl)prop-2-enoxy]benzene 、 ethyl [(4-mercapto-2-methylphenyl)oxy]acetate 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 生成 {4-[2-(3,4-dichloro-phenoxymethyl)-allylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester
  参考文献：
  名称：

  Discovery and SAR of para-alkylthiophenoxyacetic acids as potent and selective PPARδ agonists

  摘要：

  Synthesis and SAR of para-alkylthiophenoxyacetic acids is described. Achiral compounds 30, 31 and 32 were identified as potent and selective PPARd agonists. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.113

文献信息

• [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：WO2005030694A1

  公开（公告）日：2005-04-07

  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，含有它们的组合物，以及将它们用作PPAR δ调节剂来治疗或抑制例如脂质代谢异常的进展的方法。
• 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs
  申请人：Kuo Gee-Hong

  公开号：US20050107469A1

  公开（公告）日：2005-05-19

  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.

  该发明涉及4-((phenoxyalkyl)thio)-phenoxyacetic acids和类似物，包括它们的组合物，并使用它们作为PPAR delta调节剂的方法，以治疗或抑制例如脂质代谢异常的进展。
• 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS
  申请人：Kuo Gee-Hong

  公开号：US20100004470A1

  公开（公告）日：2010-01-07

  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.

  该发明涉及4-((苯氧烷基)硫基)-苯氧乙酸及其类似物、包含它们的组合物，以及将它们用作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。
• 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACI DS AND ANALOGS
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1670744A1

  公开（公告）日：2006-06-21
• 4-((phenoxyalkyl)thio)-phenoxyacetic acids for use in treating PPAR-delta mediated conditions
  申请人：Janssen Pharmaceutica N.V.

  公开号：EP2243766B1

  公开（公告）日：2015-09-02