2-ethoxy-3-{4-[2-(11H-5-oxa-10-thia-dibenzo[a,d]cyclohepten-11-yl)-ethoxy]-phenyl}-propionic acid | 265130-70-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-ethoxy-3-{4-[2-(11H-5-oxa-10-thia-dibenzo[a,d]cyclohepten-11-yl)-ethoxy]-phenyl}-propionic acid
• 英文别名: 3-[4-[2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethoxy]phenyl]-2-ethoxypropanoic acid
• CAS: 265130-70-9
• 化学式: C₂₆H₂₆O₅S
• 分子量: 450.555
• InChiKey: TUADPXVZIXAGBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  90.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  L-赖氨酸 、 2-ethoxy-3-{4-[2-(11H-5-oxa-10-thia-dibenzo[a,d]cyclohepten-11-yl)-ethoxy]-phenyl}-propionic acid 以 乙醇 为溶剂， 生成 2-ethoxy-3-(4-(2-(11H-5-oxa-10-thia-dibenzo[a,d]cyclohepten-11-yl)ethoxy)phenyl)propionic acid, L-lysine salt
  参考文献：
  名称：

  Compounds, their preparation and use

  摘要：

  本发明涉及一般式(I)的化合物。这些化合物在治疗和/或预防由核受体介导的疾病中具有用途，特别是过氧化物酶体增殖激活受体（PPAR）。

  公开号：

  US06353018B1
• 作为产物：
  描述：

  2-乙氧基-3-对羟基苯基丙酸乙酯 在 sodium hydroxide 、 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 31.0h， 生成 2-ethoxy-3-{4-[2-(11H-5-oxa-10-thia-dibenzo[a,d]cyclohepten-11-yl)-ethoxy]-phenyl}-propionic acid
  参考文献：
  名称：

  Novel Tricyclic-α-alkyloxyphenylpropionic Acids:  Dual PPARα/γ Agonists with Hypolipidemic and Antidiabetic Activity

  摘要：

  Synthesis and structure-activity relationships of tricyclic alpha-ethoxy-phenylpropionic acid derivatives guided by in vitro PPARalpha and PPARgamma transactivation data and computer modeling led to the identification of the novel carbazole analogue, 3q, with dual PPARalpha (EC50 = 0.36 muM) and PPARgamma (EC50 = 0.17 muM) activity in vitro. Ten days treatment of db/db mice with 3q improved the insulin sensitivity, as measured by OGTT, better than that seen with both pioglitazone and rosiglitazone treatment, suggesting in vivo PPARgamma activity. Likewise, 3q lowered plasma triglycerides and cholesterol in high cholesterol fed rats after 4 days treatment, indicating in vivo PPARalpha activity. Investigations of the pharmacokinetics of selected compounds suggested that extended drug exposure improved the in vivo activity of in vitro active compounds.

  DOI：

  10.1021/jm010964g

文献信息

• New compounds, their preparation and use
  申请人：——

  公开号：US20020115654A1

  公开（公告）日：2002-08-22

  The present invention relates to compounds of the general formula (I) 1 The compounds are useful in the treatment and/or prevention of conditions mediated by nuclear receptors, in particular the Peroxisome Proliferator-Activated Receptors (PPAR).

  本发明涉及一般式(I)的化合物。这些化合物在治疗和/或预防由核受体介导的疾病中具有用途，特别是过氧化物酶体增生物激活受体（PPAR）。
• NEW COMPOUNDS, THEIR PREPARATION AND USE
  申请人：NOVO NORDISK A/S

  公开号：EP1123267A1

  公开（公告）日：2001-08-16
• US6353018B1
  申请人：——

  公开号：US6353018B1

  公开（公告）日：2002-03-05
• US6683111B2
  申请人：——

  公开号：US6683111B2

  公开（公告）日：2004-01-27
• [EN] NEW COMPOUNDS, THEIR PREPARATION AND USE<br/>[FR] NOUVEAUX COMPOSES, PREPARATION ET UTILISATION CORRESPONDANTES
  申请人：NOVO NORDISK AS

  公开号：WO2000023415A1

  公开（公告）日：2000-04-27

  The present invention relates to compounds of general formula (I). The compounds are useful in the treatment and/or prevention of conditions mediated by nuclear receptors, in particular the Peroxisome Proliferator-Activated Receptors (PPAR).