Ethyl 5-fluoro-1-[[4-(1H-imidazol-1-yl)phenyl]methyl]-3-methyl-1H-indole-2-propanoate | 145937-40-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: Ethyl 5-fluoro-1-[[4-(1H-imidazol-1-yl)phenyl]methyl]-3-methyl-1H-indole-2-propanoate
• 英文别名: Ethyl 3-[5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylindol-2-yl]propanoate
• CAS: 145937-40-2
• 化学式: C₂₄H₂₄FN₃O₂
• 分子量: 405.472
• InChiKey: GSZWAYLZCGNOOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  49
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-fluoro-1-[[4-(1H-imidazol-1-yl)phenyl]methyl]-3-methyl-1H-indole-2-propanoic acid 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 Ethyl 5-fluoro-1-[[4-(1H-imidazol-1-yl)phenyl]methyl]-3-methyl-1H-indole-2-propanoate
  参考文献：
  名称：

  N-imidazolyl derivatives of substituted indole

  摘要：

  该发明提供了具有一般式（I）的取代吲哚的N-咪唑基衍生物：##STR1## 其中p是1到4的整数；A是直链或支链C.sub.1-C.sub.4烷基链；B是直接连接、直链或支链、不饱和或饱和的C.sub.1-C.sub.4烃基链；Q是直链或支链、饱和或不饱和的C.sub.1-C.sub.9烃基链，或该链被氧原子中断；R.sub.1和R.sub.2各自独立地是氢、C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4烷氧基、C.sub.1-C.sub.4烷硫基、C.sub.1-C.sub.4烷基磺酰基、卤素或三卤甲基；R.sub.3和R.sub.5各自独立地是氢或C.sub.1-C.sub.4烷基；R.sub.4是--OR.sub.6或--N（R.sub.6R.sub.7）基团，其中R.sub.6和R.sub.7各自独立地是氢、C.sub.1-C.sub.4烷基、苯基或苄基；或其药学上可接受的盐，其在治疗TxA.sub.2合成增强对病理作用的疾病状态方面有用。

  公开号：

  US05246957A1

文献信息

• N-Imidazolyl derivatives of substituted indole
  申请人：PHARMACIA S.p.A.

  公开号：EP0510398A2

  公开（公告）日：1992-10-28

  The invention provides N-imidazolyl derivatives of substituted indole of general formula (I) wherein p is an integer of 1 to 4; A is a straight or branched C1-C4 alkylene chain; B is a direct linkage, a straight or branched, unsaturated or saturated C1-C4 hydrocarbon chain; Q is a straight or branched, saturated or unsaturated C1-C9 hydrocarbon chain, or said chain is interrupted by an oxygen atom; each of R1 and R2 independently is hydrogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 alkylthio, C1-C4 alkylsulfonyl, halogen or trihalomethyl; each of R3 and Rs, independently, is hydrogen or C1-C4 alkyl; R4 is a -OR6 or -N(R6 R7) group, wherein each of R6 and R7 independently is hydrogen, C1-C4 alkyl, phenyl or benzyl; or a pharmaceutically acceptable salt thereof, which are useful in the treatment of a disease state in which an enhancement of TxA2 synthesis exerts a pathogenic effect.

  本发明提供通式(I)的取代吲哚的 N-咪唑衍生物 其中 p 是 1 至 4 的整数； A 是直链或支链 C1-C4 亚烷基链； B 是直链或支链、不饱和或饱和 C1-C4 烃链； Q 是直链或支链、饱和或不饱和 C1-C9 烃链，或所述链被一个氧原子打断； R1 和 R2 各自独立地为氢、C1-C4 烷基、C1-C4 烷氧基、C1-C4 烷硫基、C1-C4 烷基磺酰基、卤素或三卤甲基； R3 和 Rs 各自独立地为氢或 C1-C4 烷基； R4是-OR6或-N(R6 R7)基团，其中R6和R7各自独立地是氢、C1-C4烷基、苯基或苄基；或其药学上可接受的盐，它们可用于治疗TxA2合成增强产生致病作用的疾病状态。
• US5246957A
  申请人：——

  公开号：US5246957A

  公开（公告）日：1993-09-21
• N-imidazolyl derivatives of substituted indole
  申请人：Farmitalia Carlo Erba S.r.l.

  公开号：US05246957A1

  公开（公告）日：1993-09-21

  The invention provides N-imidazolyl derivatives of substituted indole of general formula (I) ##STR1## wherein p is an integer of 1 to 4; A is a straight or branched C.sub.1 -C.sub.4 alkylene chain; B is a direct linkage, a straight or branched, unsaturated or saturated C.sub.1 -C.sub.4 hydrocarbon chain; Q is a straight or branched, saturated or unsaturated C.sub.1 -C.sub.9 hydrocarbon chain, or said chain is interrupted by an oxygen atom; each of R.sub.1 and R.sub.2 independently is hydrogen, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, C.sub.1 -C.sub.4 alkylthio, C.sub.1 -C.sub.4 alkylsulfonyl, halogen or trihalomethyl; each of R.sub.3 and R.sub.5, independently, is hydrogen or C.sub.1 -C.sub.4 alkyl; R.sub.4 is a --OR.sub.6 or --N(R.sub.6 R.sub.7) group, wherein each of R.sub.6 and R.sub.7 independently is hydrogen, C.sub.1 -C.sub.4 alkyl, phenyl or benzyl; or a pharmaceutically acceptable salt thereof, which are useful in the treatment of a disease state in which an enhancement of TxA.sub.2 synthesis exerts a pathogenic effect.

  该发明提供了具有一般式（I）的取代吲哚的N-咪唑基衍生物：##STR1## 其中p是1到4的整数；A是直链或支链C.sub.1-C.sub.4烷基链；B是直接连接、直链或支链、不饱和或饱和的C.sub.1-C.sub.4烃基链；Q是直链或支链、饱和或不饱和的C.sub.1-C.sub.9烃基链，或该链被氧原子中断；R.sub.1和R.sub.2各自独立地是氢、C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4烷氧基、C.sub.1-C.sub.4烷硫基、C.sub.1-C.sub.4烷基磺酰基、卤素或三卤甲基；R.sub.3和R.sub.5各自独立地是氢或C.sub.1-C.sub.4烷基；R.sub.4是--OR.sub.6或--N（R.sub.6R.sub.7）基团，其中R.sub.6和R.sub.7各自独立地是氢、C.sub.1-C.sub.4烷基、苯基或苄基；或其药学上可接受的盐，其在治疗TxA.sub.2合成增强对病理作用的疾病状态方面有用。