4-{[(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino]methyl}-2,6-dimethylbenzoic acid | 1198085-25-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-{[(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino]methyl}-2,6-dimethylbenzoic acid
• 英文别名: 4-[[[6-[[5-Cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-yl]-methylamino]methyl]-2,6-dimethylbenzoic acid
• CAS: 1198085-25-4
• 化学式: C₃₀H₂₆Cl₂F₃N₃O₄
• 分子量: 620.455
• InChiKey: VASMTTDHEPYIIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  88.7
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  methyl 4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)-2,6-dimethylbenzoate 在 sodium hydroxide 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 12.0h， 以35%的产率得到4-{[(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino]methyl}-2,6-dimethylbenzoic acid
  参考文献：
  名称：

  Heterocyclic cyclopropyl-substituted FXR binding compounds

  摘要：

  本发明涉及由式（I）定义的化合物： 其中R1和R2独立地选自氢，氟和C1-C3烷基；X是 它们与NR1H4受体（FXR）结合，并作为NR1H4受体（FXR）的激动剂。本发明还涉及利用这些化合物制备药物，用于通过这些化合物与所述核受体结合治疗疾病和/或病情，例如预防和/或治疗慢性肝内或某些形式的肝外胆汁淤积症、由慢性胆汁淤积症引起的肝纤维化、急性肝内胆汁淤积症、由不当胆汁组成引起的阻塞性或慢性炎症性疾病、膳食脂肪和脂溶性膳食维生素吸收减少的胃肠道疾病、炎症性肠病、脂质和脂蛋白紊乱、2型糖尿病、1型和2型糖尿病的临床并发症。

  公开号：

  EP2128158A1

文献信息

• METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION
  申请人：INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE)

  公开号：US20160220586A1

  公开（公告）日：2016-08-04

  The invention relates to methods and pharmaceutical compositions for the treatment of hepatitis B virus infection. In particular, the present invention relates to farnesoid X receptor (FXR) agonists for use in a method for the treatment of hepatitis B virus infection in a subject in need thereof.
• METHODS AND PHARMACEUTICAL COMPOSITIONS FOR REDUCING PERSISTENCE AND EXPRESSION OF EPISOMAL VIRUSES
  申请人：INSERM (Institut National de la Santé et de la Recherche Médicale)

  公开号：US20210085662A1

  公开（公告）日：2021-03-25

  The inventors surprisingly found that FXR plays a determinant role in the maintenance of viral episome in cells from tissues that are not specialized in bile salt synthesis and transport as the liver or the intestine. In particular, the inventors show that FXR agonist could be suitable for inhibiting the replication of viruses (e.g. BKV and HIV-1) that persist in the cell in an episomal and extrachromosomal form of DNA. Accordingly the present invention relates to a method of reducing persistence and expression of an episomal virus in a subject in need thereof comprising administrating to the subject a therapeutically effective amount of a FXR agonist.
• US9895380B2
  申请人：——

  公开号：US9895380B2

  公开（公告）日：2018-02-20
• [EN] HETEROCYCLIC CYCLOPROPYL-SUBSTITUTED FXR BINDING COMPOUNDS<br/>[FR] COMPOSÉS DE LIAISON À FXR SUBSTITUÉS PAR CYCLOPROPYLE, HÉTÉROCYCLIQUES
  申请人：PHENEX PHARMACEUTICALS AG

  公开号：WO2009149795A2

  公开（公告）日：2009-12-17

  The present invention relates to compounds defined by formula (I): or an enantiomer, diastereomer, tautomer, solvate or pharmaceutically acceptable salt thereof, wherein R1 and R2 are independently from each other selected from hydrogen, fluorine and C1-C3 alkyl; X is formula (X1) or formula (X2) which bind to the NR1H4 receptor (FXR) and act as agonists of the NR1H4 receptor (FXR). The invention further relates to the use of the compounds for the preparation of a medicament for the treatment of diseases and/or conditions through binding of said nuclear receptor by said compounds, such as the prophylaxis and/or treatment of chronic intrahepatic or some forms of extrahepatic cholestatic conditions, liver fibrosis resulting from chronic cholestatic conditions, acute intraheptic cholestatic conditions, obstructive or chronic inflammatory disorders that arise out of improper bile composition, gastrointestinal conditions with a reduced uptake of dietary fat and fat-soluble dietary vitamins, inflammatory bowel diseases, lipid and lipoprotein disorders, Type Il Diabetes, clinical complications of Type I and Type Il Diabetes.