1-Phenyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6-one | 328542-04-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1-Phenyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6-one
• 英文别名: 2-phenyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
• CAS: 328542-04-7
• 化学式: C₁₆H₁₃N₃O
• 分子量: 263.299
• InChiKey: ROGONMNKPBBCET-UHFFFAOYSA-N

物化性质

• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  劳森试剂 、 1-Phenyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6-one 以 甲苯 为溶剂， 以0.057 g (79%)的产率得到1-Phenyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6-thione
  参考文献：
  名称：

  Tricyclic inhibitors of poly(ADP-ribose) polymerases

  摘要：

  以下化学式显示的化合物是聚(ADP-核糖基)转移酶抑制剂：这些化合物在治疗癌症和改善中风、头部创伤和神经退行性疾病的疗效方面非常有用。

  公开号：

  US06548494B1
• 作为产物：
  描述：

  2-溴-3-硝基苯甲酸甲酯 在 palladium on activated charcoal 氢气 、 sodium hydrogensulfite 、 溶剂黄146 作用下， 以 N,N-二甲基乙酰胺 、 乙酸乙酯 为溶剂， 100.0 ℃ 、344.75 kPa 条件下， 反应 6.5h， 生成 1-Phenyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6-one
  参考文献：
  名称：

  Tricyclic Benzimidazoles as Potent Poly(ADP-ribose) Polymerase-1 Inhibitors

  摘要：

  Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD(+) depletion and ADPribose polymer formation caused by chemically induced DNA damage.

  DOI：

  10.1021/jm0255769

文献信息

• [EN] RADIOLABELED AND FLUORESCENT PARP INHIBITORS FOR IMAGING AND RADIOTHERAPY<br/>[FR] INHIBITEURS DE PARP RADIOMARQUÉS ET FLUORESCENTS POUR L'IMAGERIE ET LA RADIOTHÉRAPIE
  申请人：UNIV PENNSYLVANIA

  公开号：WO2018218025A1

  公开（公告）日：2018-11-29

  The present disclosure relates to compounds of Formula I and II, wherein R1-R20 and FL are defined herein. Also provided are methods of targeting alpha-radiation to poly(ADP- ribose)polymerase 1 (PARP-1) enzyme expression, reducing proliferation of cancer cells, reducing proliferation of cancer cells, detecting intact and enzymatically active poly(ADP- ribose)polymerase 1 (PARP-1) enzyme expression, detecting PARP-1 enzyme expression in a subjects tissue sample, monitoring cancer treatment in a subject, or detecting a PARP-1 receptive cancer in a subject.

  本公开涉及到式I和II的化合物，其中R1-R20和FL在此处有定义。还提供了将α-辐射靶向聚腺苷二磷酸核糖聚合酶1（PARP-1）酶表达、减少癌细胞增殖、检测完整和酶活性的PARP-1酶表达、检测受试者组织样本中的PARP-1酶表达、监测受试者的癌症治疗，或在受试者中检测PARP-1受体癌症的方法。
• THERAPEUTIC KINASE MODULATORS
  申请人：PIERRE Fabrice

  公开号：US20090093465A1

  公开（公告）日：2009-04-09

  The invention relates in part to molecules having certain biological activities that include, but are not limited to, inhibiting cell proliferation, and modulating protein kinase activity. Molecules of the invention can modulate casein kinase (CK) activity. The invention also relates in part to methods for using such molecules.

  该发明涉及部分具有特定生物活性的分子，包括但不限于抑制细胞增殖和调节蛋白激酶活性。该发明的分子可以调节酪蛋白激酶（CK）活性。该发明还涉及使用这些分子的方法。
• SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS
  申请人：CHUA Peter

  公开号：US20090264423A2

  公开（公告）日：2009-10-22

  The invention relates in part to molecules having certain biological activities that include, but are not limited to, inhibiting cell proliferation, modulating protein kinase activity and modulating polymerase activity. Molecules of the invention can modulate casein kinase (CK) activity and/or poly(ADP-ribose)polymerase (PARP) activity. The invention also relates in part to methods for using such molecules.

  本发明涉及具有某些生物活性的分子，包括但不限于抑制细胞增殖、调节蛋白激酶活性和调节聚合酶活性。本发明的分子可以调节酪蛋白激酶（CK）活性和/或聚(ADP-核糖)聚合酶（PARP）活性。本发明还涉及使用这些分子的方法。
• Acylhydrazones as kinase modulators
  申请人：Leonard Kristi

  公开号：US20070066610A1

  公开（公告）日：2007-03-22

  The invention is directed to acylhydrazones compounds of Formula I: where R 1 , R 2 and A are as defined herein, the use of such compounds as protein tyrosine kinase modulators, particularly inhibitors of c-Met, and the use of such compounds to reduce or inhibit kinase activity of c-Met in a cell or a subject, and modulate c-Met expression in a cell or subject, and the use of such compounds for preventing or treating in a subject a cell proliferative disorder and/or disorders related to c-Met. The present invention is further directed to pharmaceutical compositions comprising the compounds of the present invention and to methods for treating conditions such as cancers and other cell proliferative disorders.

  该发明涉及公式I的酰肼化合物：其中R1、R2和A如本文所定义，所述化合物的用途为蛋白酪氨酸激酶调节剂，特别是c-Met的抑制剂，并用于减少或抑制细胞或主体中c-Met的激酶活性，调节细胞或主体中c-Met的表达，并用于预防或治疗主体中的细胞增殖障碍和/或与c-Met相关的疾病。本发明还涉及包含本发明化合物的制药组合物以及治疗癌症和其他细胞增殖障碍的方法。
• FUSED TRICYCLIC COMPOUNDS AS SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS
  申请人：CHUA Peter C.

  公开号：US20110263581A1

  公开（公告）日：2011-10-27

  The invention relates in part to molecules having certain biological activities that include, but are not limited to, inhibiting cell proliferation, modulating protein kinase activity and modulating polymerase activity. Molecules of the invention can modulate casein kinase (CK) activity and/or poly(ADP-ribose)polymerase (PARP) activity. The invention also relates in part to methods for using such molecules.

  本发明部分涉及具有某些生物活性的分子，包括但不限于抑制细胞增殖、调节蛋白激酶活性和调节聚合酶活性。本发明的分子可以调节酪氨酸激酶（CK）活性和/或聚(ADP核糖)聚合酶（PARP）活性。本发明部分还涉及使用这些分子的方法。