3-(2-(5-(4-trifluoromethoxyphenylamino)-1,3,4-oxadiazol-2-yl)thiophen-3-ylthio)propanoic acid 2-ethylhexyl ester | 1043595-13-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(2-(5-(4-trifluoromethoxyphenylamino)-1,3,4-oxadiazol-2-yl)thiophen-3-ylthio)propanoic acid 2-ethylhexyl ester
• 英文别名: 2-Ethylhexyl 3-[2-[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazol-2-yl]thiophen-3-yl]sulfanylpropanoate
• CAS: 1043595-13-6
• 化学式: C₂₄H₂₈F₃N₃O₄S₂
• 分子量: 543.631
• InChiKey: IMKURJDWOJJGQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  36
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  140
• 氢给体数：
  1
• 氢受体数：
  12

文献信息

• NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITORY ACTIVITY
  申请人：Honda Takahiro

  公开号：US20100016354A1

  公开（公告）日：2010-01-21

  The present invention relates to Compounds represented by the formula (I) or salts thereof. In the formula (I), the ring A represents a benzene ring, a thiophene ring, or a pyridine ring; R a represents a hydrogen atom, a halogen atom, an alkyl group, or an alkoxy group; the ring B represents a pyridine ring, a pyrimidine ring, or a quinoline ring; the ring C represents a benzene ring; a pyridine ring, a quinoline ring, or an isoquinoline ring; X and Y, the same or different, represent an oxygen atom or a sulfur atom, with the proviso that the case X is a sulfur atom and Y is an oxygen atom be excluded; R 1 represents a hydrogen atom, a halogen atom, an amino group, a cycloalkylamino group, an alkylcarbonylamino group, an alkyloxycarbonylamino group, an alkylaminocarbonyl group, or a non-aromatic heterocyclic group; and R 2 and R 2 ′, the same or different, represent a hydrogen atom, a halogen atom, an alkyl group, a halogeno-alkyl group, or a halogeno-alkoxy group.

  本发明涉及由式（I）表示的化合物或其盐。在式（I）中，环A表示苯环，噻吩环或吡啶环；R表示氢原子，卤素原子，烷基或烷氧基；环B表示吡啶环，嘧啶环或喹啉环；环C表示苯环，吡啶环，喹啉环或异喹啉环；X和Y，相同或不同，表示氧原子或硫原子，但X是硫原子且Y是氧原子的情况除外；R1表示氢原子，卤素原子，氨基，环烷基氨基，烷基羰基氨基，烷氧羰基氨基，烷基氨基甲酰基或非芳香族杂环基；而R2和R2'，相同或不同，表示氢原子，卤素原子，烷基，卤代烷基或卤代烷氧基。
• NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITING ACTIVITY
  申请人：Santen Pharmaceutical Co., Ltd

  公开号：EP2128156A1

  公开（公告）日：2009-12-02

  The present invention relates to Compounds represented by the formula (I) or salts thereof. In the formula (I), the ring A represents a benzene ring, a thiophene ring, or a pyridine ring; Ra represents a hydrogen atom, a halogen atom, an alkyl group, or an alkoxy group; the ring B represents a pyridine ring, a pyrimidine ring, or a quinoline ring; the ring C represents a benzene ring, a pyridine ring, a quinoline ring, or an isoquinoline ring; X and Y, the same or different, represent an oxygen atom or a sulfur atom, with the proviso that the case X is a sulfur atom and Y is an oxygen atom be excluded; R1 represents a hydrogen atom, a halogen atom, an amino group, a cycloalkylamino group, an alkylcarbonylamino group, an alkyloxycarbonylamino group, an alkylaminocarbonyl group, or a non-aromatic heterocyclic group; and R2 and R2', the same or different, represent a hydrogen atom, a halogen atom, an alkyl group, a halogeno-alkyl group, or a halogeno-alkoxy group.

  本发明涉及式（I）所代表的化合物或其盐类。在式 (I) 中，环 A 代表苯环、噻吩环或吡啶环；Ra 代表氢原子、卤素原子、烷基或烷氧基；环 B 代表吡啶环、嘧啶环或喹啉环；环 C 代表苯环、吡啶环、喹啉环或异喹啉环；X 和 Y 相同或不同，代表氧原子或硫原子，但不包括 X 为硫原子而 Y 为氧原子的情况；R1 代表氢原子、卤素原子、氨基、环烷基氨基、烷基羰基氨基、烷氧基羰基氨基、烷基氨基羰基或非芳香杂环基团；R2 和 R2'相同或不同，代表氢原子、卤素原子、烷基、卤代烷基或卤代烷氧基。
• US8063034B2
  申请人：——

  公开号：US8063034B2

  公开（公告）日：2011-11-22