6-fluoro-9-[[4-(1H-imidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazol-1-yl-acetic acid | 143833-17-4

• 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: 6-fluoro-9-[[4-(1H-imidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazol-1-yl-acetic acid
• 英文别名: 2-[6-Fluoro-9-[(4-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
• CAS: 143833-17-4
• 化学式: C₂₄H₂₂FN₃O₂
• 分子量: 403.456
• InChiKey: CLEYESHSXKPXIN-UHFFFAOYSA-N

物化性质

• 沸点：
  678.7±55.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  60
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  isopropyl 6-fluoro-9-[[4-(1H-imidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazol-1-yl-acetate 在 氢氧化钾 作用下， 以 甲醇 、 水 为溶剂， 生成 6-fluoro-9-[[4-(1H-imidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazol-1-yl-acetic acid
  参考文献：
  名称：

  N-imidazolyl derivatives of substituted tetrahydrocarbazole and

  摘要：

  本发明提供了新的N-咪唑基取代四氢咔唑和环戊[b]吲哚的衍生物，其一般式为(I)： 其中n为1或2；p为1至4的整数；A为直链或支链C.sub.1-C.sub.4烷基链；B为直接连接，直链或支链，不饱和或饱和的C.sub.1-C.sub.4烷基链；Q为直接连接或直链或支链C.sub.1-C.sub.4烷基链；R.sub.1和R.sub.2各自独立地为氢，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各自独立地为氢或C.sub.1-C.sub.4烷基；R.sub.4为--OR.sub.6或--N(R.sub.6,R.sub.7)基团，其中R.sub.6和R.sub.7各自独立地为氢，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合成增强对病态效应的疾病状态中有用。

  公开号：

  US05238953A1

文献信息

• N-imidazolyl derivatives of substituted tetrahydrocarbazole and cyclohept[b]indole
  申请人：PHARMACIA S.p.A.

  公开号：EP0496237A2

  公开（公告）日：1992-07-29

  The invention provides new N-imidazolyl derivatives of substituted tetrahydrocarbazoles and cyclopent[b]-indoles of general formula (I) wherein n is 1 or 2; 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 alkylene chain; Q is a direct linkage or a straight or branched C1-C4 alkylene chain; 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 -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.

  本发明提供了通式 (I) 的取代四氢咔唑和环戊并[b]-吲哚的新 N-咪唑基衍生物 其中 n 是 1 或 2 p 是 1 至 4 的整数； A 是直链或支链 C1-C4 烯链； B 是直接连接、直链或支链、不饱和或饱和 C1-C4 亚烷基链； Q 是直接连接或直链或支链 C1-C4 亚烷基链； 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为-OR6或-N(R6,R7)基团，其中R6和R7各自独立地为氢、C1-C4烷基、苯基或苄基；或其药学上可接受的盐，可用于治疗增强TxA2合成产生致病作用的疾病状态。
• JPH04321683A
  申请人：——

  公开号：JPH04321683A

  公开（公告）日：1992-11-11
• US5238953A
  申请人：——

  公开号：US5238953A

  公开（公告）日：1993-08-24
• N-imidazolyl derivatives of substituted tetrahydrocarbazole and
  申请人：Farmitalia Carlo Erba S.R.L.

  公开号：US05238953A1

  公开（公告）日：1993-08-24

  The invention provides new N-imidazolyl derivatives of substituted tetrahydrocarbazoles and cyclopent[b]indoles of general formula (I) ##STR1## wherein n is 1 or 2; 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 alkylene chain; Q is a direct linkage or a straight or branched C.sub.1 -C.sub.4 alkylene chain; 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 --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.

  本发明提供了新的N-咪唑基取代四氢咔唑和环戊[b]吲哚的衍生物，其一般式为(I)： 其中n为1或2；p为1至4的整数；A为直链或支链C.sub.1-C.sub.4烷基链；B为直接连接，直链或支链，不饱和或饱和的C.sub.1-C.sub.4烷基链；Q为直接连接或直链或支链C.sub.1-C.sub.4烷基链；R.sub.1和R.sub.2各自独立地为氢，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各自独立地为氢或C.sub.1-C.sub.4烷基；R.sub.4为--OR.sub.6或--N(R.sub.6,R.sub.7)基团，其中R.sub.6和R.sub.7各自独立地为氢，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合成增强对病态效应的疾病状态中有用。