5-(3-hydroxyisoxazol-5-yl)-2-[2-(3-isopropoxyphenyl)-2-methylpropoxy]pyridinium trifluoroacetate | 1198744-57-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5-(3-hydroxyisoxazol-5-yl)-2-[2-(3-isopropoxyphenyl)-2-methylpropoxy]pyridinium trifluoroacetate
• 英文别名: 5-[6-[2-Methyl-2-(3-propan-2-yloxyphenyl)propoxy]pyridin-3-yl]-1,2-oxazol-3-one;2,2,2-trifluoroacetic acid；5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]pyridin-3-yl]-1,2-oxazol-3-one;2,2,2-trifluoroacetic acid
• CAS: 1198744-57-8
• 化学式: C₂HF₃O₂*C₂₁H₂₄N₂O₄
• 分子量: 482.457
• InChiKey: NTPYZDCOFBLHAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.22
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• NOVEL ISOXAZOLE DRIVATIVE
  申请人：Ishikawa Makoto

  公开号：US20110065739A1

  公开（公告）日：2011-03-17

  Disclosed is a compound represented by formula (I) or a pharmaceutically acceptable salt thereof, which has an agonistic activity on GPR120 and is therefore useful for the treatment of diabetes, obesity or hyperlipemia. [In formula (I), the A represents a phenyl group which may be substituted by a lower alkoxy group or the like; the 13 represents a bivalent group produced by removing two hydrogen atoms from a benzene ring which may be substituted by a halogen atom or the like; X represents a lower alkylene group having 2 to 4 carbon atoms in its main chain or the like, wherein a carbon atom constituting the main chain may be substituted by an oxygen atom or the like; and Y represents a hydrogen atom or the like.]

  揭示了一种由式(I)表示的化合物或其药学上可接受的盐，该化合物对GPR120具有激动活性，因此对于治疗糖尿病、肥胖或高脂血症是有用的。【在式(I)中，A代表可能被低烷氧基或类似物取代的苯基；13代表通过从苯环中去除两个氢原子而产生的二价基团，该苯环可能被卤素原子或类似物取代；X代表具有2至4个碳原子的低烷基基团或类似物，其中构成主链的碳原子可能被氧原子或类似物取代；Y代表氢原子或类似物。】
• NOVEL ISOXAZOLE DERIVATIVE
  申请人：MSD K.K.

  公开号：EP2298750A1

  公开（公告）日：2011-03-23

  Disclosed is a compound represented by formula (I) or a pharmaceutically acceptable salt thereof, which has an agonistic activity on GPR120 and is therefore useful for the treatment of diabetes, obesity or hyperlipemia. [In formula (I), the A represents a phenyl group which may be substituted by a lower alkoxy group or the like, or the like; the B represents a bivalent group produced by removing two hydrogen atoms from a benzene ring which may be substituted by a halogen atom or the like, or the like; X represents a lower alkylene group having 2 to 4 carbon atoms in its main chain or the like, wherein a carbon atom constituting the main chain may be substituted by an oxygen atom or the like; and Y represents a hydrogen atom or the like.]

  本发明公开了一种由式（I）代表的化合物或其药学上可接受的盐，该化合物对 GPR120 具有激动活性，因此可用于治疗糖尿病、肥胖症或高脂血症。式（I）中，A 代表苯基，可被低级烷氧基等取代；B 代表二价基团，通过从苯环中去除两个氢原子而产生，可被卤素原子等取代；X 代表低级亚烷基，其主链上有 2 至 4 个碳原子等，其中构成主链的一个碳原子可被氧原子等取代；Y 代表氢原子等。