5-(7-methoxy-3,3-dimethyl-2,3-dihydro-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid | 280585-34-4

• 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: 5-(7-methoxy-3,3-dimethyl-2,3-dihydro-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid
• 英文别名: oxeglitazar；2E,4E-(methoxy-7-dimethyl-3,3-dihydro-2,3-benzoxepin-1-yl-5)-5-methyl-3-pentadien-2,4-oic acid；(2E, 4E)-5-(3,3-dimethyl-7-methoxy-2,3-dihydrobenzoxepin-5-yl)-3-methylpenta-2,4-dienoic acid；(2E,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methylpenta-2,4-dienoic acid
• CAS: 280585-34-4
• 化学式: C₁₉H₂₂O₄
• 分子量: 314.381
• InChiKey: FVGXANXBVWECQE-BYWGDBCOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  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

• Treatment for hyperuricemia
  申请人：Merck Sante

  公开号：EP1535612A1

  公开（公告）日：2005-06-01

  Use of pentadienoic acid derivatives for the prevention and/or the treatment of hyperuricemia and/or associated disorders or diseases. 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.

  戊二烯酸衍生物在预防和/或治疗高尿酸血症和/或相关紊乱或疾病中的用途。 将式（I）的戊二烯酸衍生物用于制备预防或治疗高尿酸血症和/或一种或数种相关紊乱或疾病的药物，和/或用于降低受试者的血清尿酸水平。 用于上述预防和/或治疗的药物组合物，包含这样一种戊二烯酸衍生物。
• USE OF PENTADIENOIC ACID DERIVATES FOR TREATEMENT OF HYPERURICEMIA
  申请人：Merck Patent GmbH

  公开号：EP1686983A1

  公开（公告）日：2006-08-09
• USE OF 5-(7-METHOXY-3,3-DIMETHYL-2,3-DIHYDRO-1-BENZOXEPIN-5-YL)-3-METHYL-PENTA-2,4-DIENOIC
  申请人：Merck Patent GmbH

  公开号：EP2309974A2

  公开（公告）日：2011-04-20
• 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.
• Methods of Treating Neuropathic Pain with Agonists of PPAR-gamma
  申请人：Chiang Lillian W.

  公开号：US20100076037A1

  公开（公告）日：2010-03-25

  Embodiments of the invention relate to the treatment of neuropathic pain in mammals. Embodiments of the invention include methods for treating neuropathic pain as well as methods for preparing medicaments used in the treatment of mammalian pain. Preferably, methods of the invention comprise the use of PPARgamma agonists for the treatment of mammalian pain.