3-[6-(1,3-benzodioxol-5-yl)benzo[b]thiophen-3-yl] pyridine | 776286-43-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 3-[6-(1,3-benzodioxol-5-yl)benzo[b]thiophen-3-yl] pyridine
• 英文别名: 3-[6-(1,3-Benzodioxol-5-yl)-1-benzothiophen-3-yl]pyridine
• CAS: 776286-43-2
• 化学式: C₂₀H₁₃NO₂S
• 分子量: 331.395
• InChiKey: ZZRGIRUEOVCYDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Novel benzothiophene derivatives
  申请人：Daiichi Pharmaceutical Co. Ltd.

  公开号：US20030130340A1

  公开（公告）日：2003-07-10

  The present invention relates to novel benzothiophene derivatives represnted by the following formula (I) or salts thereof, inhibitors of steroid 17&agr;-hydroxylase and/or C17-20 lyase, and pharmaceutical compositions containing the benzothiophene derivative or the salt. 1 wherein Ar shows a substituted or unsubstituted aromatic heterocyclic group; R shows a hydroxyl group, lower alkyl group, lower alkyloxy group, halogen atom, carboxyl group, lower alkyloxycarbonyl group, carbamoyl group, amino group, amino group which may be substituted or not substituted with one or more substituents selected from a lower alkyl group and lower acyl group, cyano group, substituted or unsubstituted phenyl group, substituted or unsubstituted phenoxy group, substituted or unsubstituted phenyl lower alkyl group, substituted or unsubstituted phenyl lower alkyloxy group, or substituted or unsubstituted aromatic heterocyclic group.

  本发明涉及以下公式(I)表示的新的苯并噻吩衍生物或其盐，这些衍生物是类固醇17α-羟化酶和/或C17-20裂合酶的抑制剂，以及包含该苯并噻吩衍生物或其盐的药物组合物。 1 其中，Ar表示取代的或未取代的芳香杂环族；R表示羟基，低级烷基，低级烷氧基，卤素原子，羧基，低级烷氧基羰基，氨基甲酰基，氨基，可能被一个或多个选自低级烷基和低级酰基的取代基取代或不取代的氨基，氰基，取代的或未取代的苯基，取代的或未取代的苯氧基，取代的或未取代的苯基低级烷基，取代的或未取代的苯基低级烷氧基，或取代的或未取代的芳香杂环族。
• NOVEL BENZOTHIOPHENE DERIVATIVES
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1283209A1

  公开（公告）日：2003-02-12

  The present invention relates to novel benzothiophene derivatives represnted by the following formula (I) or salts thereof, inhibitors of steroid 17α-hydroxylase and/or C17-20 lyase, and pharmaceutical compositions containing the benzothiophene derivative or the salt. wherein Ar shows a substituted or unsubstituted aromatic heterocyclic group; R shows a hydroxyl group, lower alkyl group, lower alkyloxy group, halogen atom, carboxyl group, lower alkyloxycarbonyl group, carbamoyl group, amino group, amino group which may be substituted or not substituted with one or more substituents selected from a lower alkyl group and lower acyl group, cyano group, substituted or unsubstituted phenyl group, substituted or unsubstituted phenoxy group, substituted or unsubstituted phenyl lower alkyl group, substituted or unsubstituted phenyl lower alkyloxy group, or substituted or unsubstituted aromatic heterocyclic group.

  本发明涉及由下式(I)表示的新型苯并噻吩衍生物或其盐，类固醇17α-羟化酶和/或C17-20裂解酶的抑制剂，以及含有苯并噻吩衍生物或其盐的药物组合物。 其中 Ar 表示取代或未取代的芳香杂环基团；R 表示羟基、低级烷基、低级烷氧基、卤素原子、羧基、低级烷氧羰基、氨基甲酰基、氨基、可被一个或多个选自低级烷基和低级酰基的取代基取代或未被取代的氨基、氰基、取代或未取代的苯基、取代或未取代的苯氧基、取代或未取代的苯基低级烷基、取代或未取代的苯基低级烷氧基、取代或未取代的芳香杂环基。