4-((4-(2-carboxyethyl)phenyl)thio)-1-((6-chloro-1,3-benzodioxol-5-yl)methyl)-2-(1-methylethyl)-1H-imidazole-5-carboxylic acid

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-((4-(2-carboxyethyl)phenyl)thio)-1-((6-chloro-1,3-benzodioxol-5-yl)methyl)-2-(1-methylethyl)-1H-imidazole-5-carboxylic acid
• 英文别名: 5-[4-(2-Carboxyethyl)phenyl]sulfanyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propan-2-ylimidazole-4-carboxylic acid
• 化学式: C₂₄H₂₃ClN₂O₆S
• 分子量: 502.975
• InChiKey: KQLGFTNAWIYIBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  136
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• NOUVEAUX DERIVES DE L'IMIDAZOLE, PROCEDE DE PREPARATION, COMPOSITIONS PHARMACEUTIQUES ET LEUR UTILISATION COMME ANTAGONISTES DE L'ENDOTHELINE
  申请人：Aventis Pharma S.A.

  公开号：EP0863896B1

  公开（公告）日：2005-02-09
• METHOD AND COMPOSITION FOR TREATING DIABETIC KETOACIDOSIS
  申请人：Midwestern University

  公开号：EP2424530B1

  公开（公告）日：2015-12-16
• Diagnostic Use of Endothelin Etb Receptor Agonists and Eta Receptor Antagonists in Tumor Imaging
  申请人：Gulati Anil

  公开号：US20080260634A1

  公开（公告）日：2008-10-23

  Methods of imaging tumors are disclosed. The methods utilize an endothelin ET B receptor agonist or an endothelin ET A receptor antagonist, in combination with an imaging agent, to detect a tumor in mammals, including humans.
• Method and Composition for Potentiating an Opiate Analgesic
  申请人：Gulati Anil

  公开号：US20100113396A1

  公开（公告）日：2010-05-06

  Composition and methods of treating pain and reducing or reversing tolerance to opiate analgesics are disclosed. The composition and method utilize an opiate analgesic and an endothelin antagonist as active agents to treat pain in mammals, including humans.
• Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin
  申请人：Gulati Anil

  公开号：US20100173872A1

  公开（公告）日：2010-07-08

  A composition and method of treating Alzheimer's disease or a dementia of vascular origin are disclosed. The composition and method utilize an endothelin antagonist as the active agent to treat Alzheimer's disease or a dementia of vascular origin in mammals, including humans.