2-(3-{3-[4-(pyrazin-2-ylsulfanyl)-phenoxy]-2(R)-hydroxypropoxy}-benzyl)tetrahydro-2-furancarboxylic acid | 499788-91-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(3-{3-[4-(pyrazin-2-ylsulfanyl)-phenoxy]-2(R)-hydroxypropoxy}-benzyl)tetrahydro-2-furancarboxylic acid
• 英文别名: 2-[[3-[(2S)-2-hydroxy-3-(4-pyrazin-2-ylsulfanylphenoxy)propoxy]phenyl]methyl]oxolane-2-carboxylic acid
• CAS: 499788-91-9
• 化学式: C₂₅H₂₆N₂O₆S
• 分子量: 482.557
• InChiKey: SKZMOMDXQZGBIS-UBDBMELISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  136
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• Cyclic compound and ppar agonist
  申请人：Clark Richard

  公开号：US20050014833A1

  公开（公告）日：2005-01-20

  The present invention provides a novel compound having an excellent PPAR agonist action. More specifically, it provides a compound represented by the following formula, a salt thereof, an ester thereof or a hydrate of them. Wherein a, b and c are the same as or different from one another and each represents 0 to 4; R 1 to R 6 are the same as or different from one another and each represents a hydrogen atom, a hydroxyl group, a cyano group, a halogen atom, etc.; A 1 and A 2 are the same as or different from each other and each represents a single bond, an oxygen atom, etc.; L, M and T each represent a single bond, an alkylene group having one to six carbon atoms, etc.; W represents a carboxyl group; the partial structure represented by the formula: represents a single bond or a double bond; X represents a single bond, an oxygen atom, —NR X1 CQ 1 O—, etc.; Y represents Y 1 —Y 2 — (wherein Y 1 represents a 5 to 14-membered aromatic ring having one to four substituents, etc.; and Y 2 represents a single bond or a 5 to 14-membered aromatic ring); and the ring Z represents a 5 to 14-membered aromatic ring which have one to four substituents selected form the above-mentioned Group A, may have one or more hetero atoms and may be partially saturated.

  本发明提供了一种具有出色PPAR激动剂作用的新化合物。更具体地说，它提供了一种由以下公式表示的化合物，其盐，酯或水合物。其中a，b和c彼此相同或不同，每个表示0到4; R1至R6彼此相同或不同，每个表示氢原子，羟基，氰基，卤素原子等; A1和A2彼此相同或不同，每个表示单键，氧原子等; L，M和T每个表示单键，具有一到六个碳原子的烷基等; W表示羧基;由以下公式表示的部分结构:表示单键或双键; X表示单键，氧原子，-NRX1CQ1O-等; Y表示Y1-Y2-（其中Y1表示具有一到四个取代基的5到14个成员的芳香环等; Y2表示单键或5到14个成员的芳香环）; 而环Z表示从上述A族中选择的具有一到四个取代基的5到14个成员的芳香环，可以具有一个或多个杂原子，并且可以部分饱和。
• CYCLIC COMPOUND AND PPAR AGONIST
  申请人：Eisai Co., Ltd.

  公开号：EP1452521A1

  公开（公告）日：2004-09-01

  The present invention provides a novel compound having an excellent PPAR agonist action. More specifically, it provides a compound represented by the following formula, a salt thereof, an ester thereof or a hydrate of them. Wherein a, b and c are the same as or different from one another and each represents 0 to 4; R1 to R6 are the same as or different from one another and each represents a hydrogen atom, a hydroxyl group, a cyano group, a halogen atom, etc.; A1 and A2 are the same as or different from each other and each represents a single bond, an oxygen atom, etc.; L, M and T each represent a single bond, an alkylene group having one to six carbon atoms, etc.; W represents a carboxyl group; the partial structure represented by the formula: ------¯ represents a single bond or a double bond; X represents a single bond, an oxygen atom, -NRX1CQ1O-, etc.; Y represents Y1-Y2- (wherein Y1 represents a 5 to 14-membered aromatic ring having one to four substituents, etc.; and Y2 represents a single bond or a 5 to 14-membered aromatic ring); and the ring Z represents a 5 to 14-membered aromatic ring which have one to four substituents selected form the above-mentioned Group A, may have one or more hetero atoms and may be partially saturated.

  本发明提供了一种具有优异 PPAR 激动剂作用的新型化合物。更具体地说，它提供了由下式代表的化合物、其盐、其酯或它们的水合物。 其中 a、b 和 c 彼此相同或不同，各自代表 0 至 4；R1 至 R6 彼此相同或不同，各自代表氢原子、羟基、氰基、卤素原子等； A1 和 A2 彼此相同或不同，各自代表单键、氧原子等； L、M 和 T 各自代表单键、具有 1 至 6 个碳原子的亚烷基等； W 代表羧基； 式所代表的部分结构： ------¯ 代表单键或双键； X 代表单键、氧原子、-NRX1CQ1O- 等； Y 代表 Y1-Y2-（其中 Y1 代表具有 1 至 4 个取代基的 5 至 14 元芳香环等；Y2 代表单键或 5 至 14 元芳香环）；以及 环 Z 代表 5 至 14 元芳香环，该环具有 1 至 4 个从上述 A 组中选出的取代基，可具有一个或多个杂原子，并可部分饱和。
• US7371777B2
  申请人：——

  公开号：US7371777B2

  公开（公告）日：2008-05-13