3-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl benzoate | 383875-61-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl benzoate
• 英文别名: 6-(Benzoyloxy)-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde；(3-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl) benzoate
• CAS: 383875-61-4
• 化学式: C₁₅H₁₀N₂O₃
• 分子量: 266.256
• InChiKey: KZHSQKNOECILAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1H-pyrrolo[2,3-b]pyridin-6-yl benzoate 、 乌洛托品 、 乙酸酐 生成 3-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl benzoate
  参考文献：
  名称：

  Azaindole derivatives, process for their preparation, and their use as antitumor agents

  摘要：

  化合物1H-吡咯并[2,3-b]吡啶，其由式(I)表示：其中R是氢或卤素原子或从以下群中选择的基团：—CN、—OH、—OCOR4、—(CH2)nNH2、—(CH2)nNHR4、—(CH2)nNHCOR4、—(CH2)nNHCONR4R5、—(CH2)nNHCOOR4或—(CH2)nNHSO2R4，其中n为0或1，R4和R5如规范所述；R1是氢或可选择性取代的烷基基团；R2是可选择性取代的烷基或芳基基团；R3是氢或从—CONR4R5、—COOR4、—CONHOR4、—SO2NHR4、烷基磺酰胺基羰基或全氟烷基磺酰胺基羰基中选择的基团；或其药学上可接受的盐。这些化合物可用于治疗与细胞依赖性激酶活性改变相关的细胞增殖性疾病。

  公开号：

  US06335342B1

文献信息

• AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS
  申请人：PHARMACIA & UPJOHN

  公开号：US20030004350A1

  公开（公告）日：2003-01-02

  Novel 1H-pyrrolo[2,3-b]pyridines which are represented by formula (I): 1 wherein R is a hydrogen or halogen atom or a group selected from —CN, —OH, —OCOR 4 , —(CH 2 ) n NH 2 , —(CH 2 ) n NHR 4 , —(CH 2 ) n NHCOR 4 , —(CH 2 ) n NHCONR 4 R 5 , —(CH 2 ) n NHCOOR 4 , or —(CH 2 ) n NHSO 2 R 4 , wherein n is either 0 or 1, R 4 and R 5 are as described in the specification; R 1 is hydrogen or an optionally substituted alkyl group; R 2 is an optionally substituted group selected from alkyl or aryl; R 3 is hydrogen or a group selected from —CONR 4 R 5 , —COOR 4 , —CONHOR 4 , —SO 2 NHR 4 , alkylsulphonylaminocarbonyl or perfluorinated alkylsulphonylaminocarbonyl; or a pharmaceutically acceptable salt thereof, are disclosed. These compounds are useful for treating cell proliferative disorders associated with an altered cell dependent kinase activity.

  化合物1H-pyrrolo[2,3-b]pyridines，其由式（I）表示：其中R是氢原子或卤素原子或从-CN，-OH，-OCOR4，-(CH2)nNH2，-(CH2)nNHR4，-(CH2)nNHCOR4，-(CH2)nNHCONR4R5，-(CH2)nNHCOOR4或-(CH2)nNHSO2R4中选择的基团，其中n为0或1，R4和R5如规范中所述；R1是氢原子或可选择地取代的烷基基团；R2是可选择地取代的烷基或芳基基团；R3是氢原子或从CONR4R5，-COOR4，-CONHOR4，-SO2NHR4，烷基磺酰胺基羰基或全氟烷基磺酰胺基羰基中选择的基团；或其药学上可接受的盐。这些化合物可用于治疗与细胞依赖性激酶活性改变相关的细胞增殖性疾病。
• US6335342B1
  申请人：——

  公开号：US6335342B1

  公开（公告）日：2002-01-01
• Azaindole derivatives, process for their preparation, and their use as antitumor agents
  申请人：Pharmacia & UpJohn S.p.A.

  公开号：US06335342B1

  公开（公告）日：2002-01-01

  Novel 1H-pyrrolo[2,3-b]pyridines which are represented by formula (I): wherein R is a hydrogen or halogen atom or a group selected from —CN, —OH, —OCOR4, —(CH2)nNH2, —(CH2)nNHR4, —(CH2)nNHCOR4, —(CH2)nNHCONR4R5, —(CH2)nNHCOOR4, or —(CH2)nNHSO2R4, wherein n is either 0 or 1, R4 and R5 are as described in the specification; R1 is hydrogen or an optionally substituted alkyl group; R2 is an optionally substituted group selected from alkyl or aryl; R3 is hydrogen or a group selected from —CONR4R5, —COOR4, —CONHOR4, —SO2NHR4, alkylsulphonylaminocarbonyl or perfluorinated alkylsulphonylaminocarbonyl; or a pharmaceutically acceptable salt thereof, are disclosed. These compounds are useful for treating cell proliferative disorders associated with an altered cell dependent kinase activity.

  化合物1H-吡咯并[2,3-b]吡啶，其由式(I)表示：其中R是氢或卤素原子或从以下群中选择的基团：—CN、—OH、—OCOR4、—(CH2)nNH2、—(CH2)nNHR4、—(CH2)nNHCOR4、—(CH2)nNHCONR4R5、—(CH2)nNHCOOR4或—(CH2)nNHSO2R4，其中n为0或1，R4和R5如规范所述；R1是氢或可选择性取代的烷基基团；R2是可选择性取代的烷基或芳基基团；R3是氢或从—CONR4R5、—COOR4、—CONHOR4、—SO2NHR4、烷基磺酰胺基羰基或全氟烷基磺酰胺基羰基中选择的基团；或其药学上可接受的盐。这些化合物可用于治疗与细胞依赖性激酶活性改变相关的细胞增殖性疾病。