ethyl 2E,4E-(methoxy-7-dimethyl-3,3-dihydro-2,3-benzoxepin-1-yl-5)-5-methyl-3-pentadien-2,4-oate | 280585-58-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噁庚英
• 英文名称: ethyl 2E,4E-(methoxy-7-dimethyl-3,3-dihydro-2,3-benzoxepin-1-yl-5)-5-methyl-3-pentadien-2,4-oate
• 英文别名: (2E,4E)-5-(7-(4-methoxyphenyl)-3,3-dimethyl-2,3-dihydrobenzo[b]oxepine-5-yl)-3-methyl-penta-2,4-dienoic acid ethyl ester；ethyl (2E,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methylpenta-2,4-dienoate
• CAS: 280585-58-2
• 化学式: C₂₁H₂₆O₄
• 分子量: 342.435
• InChiKey: FLNYEYOWUMJJCY-XHBXSBNISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2E,4E-(methoxy-7-dimethyl-3,3-dihydro-2,3-benzoxepin-1-yl-5)-5-methyl-3-pentadien-2,4-oate 在 sodium hydroxide 、 水 、 硫酸 作用下， 以 甲醇 、 甲基叔丁基醚 、 水 为溶剂， 反应 2.25h， 以82.3%的产率得到5-(7-methoxy-3,3-dimethyl-2,3-dihydro-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid
  参考文献：
  名称：

  [EN] METASTABLE BENZOXEPNE DERIVATIVES WHICH CAN BE USED IN THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THE PREPARATION THEREOF
  [FR] DERIVES METASTABLES DE BENZOXEPINE SUSCEPTIBLES D'ETRE UTILISES POUR TRAITER LA DYSLIPIDEMIE, L'ATHEROSCLEROSE ET LE DIABETE, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT ET PROCEDES DE PREPARATION

  摘要：

  本发明涉及公式（I）的新型亚稳衍生物苯并噁吩，其中n代表0、1或2；基团R可能相同或不同，是烷基或烷氧基，或卤素原子，可用于治疗脂质代谢异常、动脉粥样硬化和糖尿病。

  公开号：

  WO2004031166A1

文献信息

• Use of pentadienoic acid derivatives for the treatment of hyperuricemia
  申请人：Boizel Robert

  公开号：US20070099854A1

  公开（公告）日：2007-05-03

  The use of a pentadienoic acid derivative of formula (I) for the preparation of a medicament for the prevention or treatment of hyperuricemia and/or one or several associated disorders or diseases, and/or for reducing the serum uric acid level of a subject. Medical compositions for these prevention and/or treatment, comprising such a pentadienoic acid derivative.
• USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA
  申请人：Boizel Robert

  公开号：US20100160410A1

  公开（公告）日：2010-06-24

  The use of a pentadienoic acid derivative of formula (I) for the preparation of a medicament for the prevention or treatment of hyperuricemia and/or one or several associated disorders or diseases, and/or for reducing the serum uric acid level of a subject. Medical compositions for these prevention and/or treatment, comprising such a pentadienoic acid derivative.
• [EN] METASTABLE BENZOXEPNE DERIVATIVES WHICH CAN BE USED IN THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THE PREPARATION THEREOF<br/>[FR] DERIVES METASTABLES DE BENZOXEPINE SUSCEPTIBLES D'ETRE UTILISES POUR TRAITER LA DYSLIPIDEMIE, L'ATHEROSCLEROSE ET LE DIABETE, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT ET PROCEDES DE PREPARATION
  申请人：MERCK PATENT GMBH

  公开号：WO2004031166A1

  公开（公告）日：2004-04-15

  The present invention relates to novel metastable derivatives of benzoxepines of the formula (I) in which n represents 0,1 or 2 ; and the radicals R, which may be identical or different, are alkyl or alkoxy groups, or halogen atoms, which can be used in the treatment of dyslipidaemia, atherosclerosis and diabetes.

  本发明涉及公式（I）的新型亚稳衍生物苯并噁吩，其中n代表0、1或2；基团R可能相同或不同，是烷基或烷氧基，或卤素原子，可用于治疗脂质代谢异常、动脉粥样硬化和糖尿病。