9-dimethylamino-11,11-dimethyl-1-[3-(3-{[(6-oxo-5,6-dihydro-phenanthridin-2-ylcarbamoyl)-methyl]-amino}-propylcarbamoyl)-propyl]-2,3,4,11-tetrahydro-naphtho[2,3-g]quinolinium trifluoroacetate | 1256940-83-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 9-dimethylamino-11,11-dimethyl-1-[3-(3-{[(6-oxo-5,6-dihydro-phenanthridin-2-ylcarbamoyl)-methyl]-amino}-propylcarbamoyl)-propyl]-2,3,4,11-tetrahydro-naphtho[2,3-g]quinolinium trifluoroacetate
• 英文别名: 4-[9-(dimethylamino)-11,11-dimethyl-3,4-dihydro-2H-naphtho[2,3-g]quinolin-1-ium-1-yl]-N-[3-[[2-oxo-2-[(6-oxo-5H-phenanthridin-2-yl)amino]ethyl]amino]propyl]butanamide;2,2,2-trifluoroacetate
• CAS: 1256940-83-6
• 化学式: C₂F₃O₂*C₄₃H₄₉N₆O₃
• 分子量: 810.916
• InChiKey: HJANUOODDUTANI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.47
• 重原子数：
  59
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  146
• 氢给体数：
  4
• 氢受体数：
  10

文献信息

• [EN] 4-CARBOXAMIDO-ISOINDOLINONE DERIVATIVES AS SELECTIVE PARP-1 INHIBITORS<br/>[FR] DÉRIVÉS DE 4-CARBOXAMIDO-ISOINDOLINONE EN TANT QU'INHIBITEURS SÉLECTIFS DE PARP-1
  申请人：NERVIANO MEDICAL SCIENCES SRL

  公开号：WO2014064149A1

  公开（公告）日：2014-05-01

  There are provided substituted 4-carboxamido-isoindolinone derivatives which selectively inhibit the activity of poly (ADP-ribose) polymerase PARP-1 with respect to poly (ADP-ribose) polymerase PARP-2. The compounds of this invention are therefore useful in treating diseases such as cancer, cardiovascular diseases, central nervous system injury and different forms of inflammation. The present invention also provides methods for preparing these compounds, pharmaceutical compositions comprising these compounds, and methods of treating diseases utilizing pharmaceutical compositions comprising these compounds.

  提供了替代的4-羧胺基异吲哚啉酮衍生物，可以选择性地抑制与PARP-2相比的聚(ADP-核糖)聚合酶PARP-1的活性。因此，本发明的化合物在治疗癌症、心血管疾病、中枢神经系统损伤和不同形式的炎症等疾病方面是有用的。本发明还提供了制备这些化合物的方法、包含这些化合物的药物组合物以及利用包含这些化合物的药物组合物治疗疾病的方法。
• [EN] ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS<br/>[FR] DERIVES ISOQUINOLEIN-1(2H)-ONE EN TANT QU'INHIBITEURS DE PARP-1
  申请人：NERVIANO MEDICAL SCIENCES SRL

  公开号：WO2010133647A1

  公开（公告）日：2010-11-25

  There are provided substituted isoquinolin-1(2H)-one derivatives which selectively inhibit the activity of poly (ADP- ribose) polymerase PARP-1 with respect to poly (ADP-ribose) polymerase PARP-2. The compounds of the present invention are therefore useful in treating diseases such as cancer, cardiovascular diseases, central nervous system injury and different forms of inflammation. The present invention also provides methods for preparing these compounds, pharmaceutical compositions comprising these compounds, and methods of treating diseases utilizing pharmaceutical compositions comprising these compounds. A screening method for the identification of compounds capable of binding several PARP proteins, as well the probes used in such method, are further objects of the invention.

  提供了替代异喹啉-1（2H）-酮衍生物，可以选择性地抑制与多聚（ADP-核糖）聚合酶PARP-2相关的多聚（ADP-核糖）聚合酶PARP-1的活性。因此，本发明的化合物可用于治疗癌症、心血管疾病、中枢神经系统损伤和不同形式的炎症等疾病。本发明还提供了制备这些化合物的方法、包含这些化合物的制药组合物以及利用包含这些化合物的制药组合物治疗疾病的方法。本发明还提供了一种筛选能够结合多种PARP蛋白的化合物的筛选方法，以及用于该方法的探针。
• 3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS
  申请人：Papeo Gianluca Mariano Enrico

  公开号：US20120245142A1

  公开（公告）日：2012-09-27

  There are provided substituted 3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide derivatives (I) which selectively inhibit the activity of poly (ADP-ribose) polymerase PARP-1 with respect to poly (ADP-ribose) polymerase PARP-2. The compounds of this invention are therefore useful in treating diseases such as cancer, cardiovascular diseases, central nervous system injury and different forms of inflammation. The present invention also provides methods for preparing these compounds, pharmaceutical compositions comprising these compounds, and methods of treating, diseases utilizing pharmaceutical compositions comprising these compounds.

  本发明提供了替代的3-氧代-2,3-二氢-1H-异吲哚-4-羧酰胺衍生物（I），其能够选择性地抑制PARP-1相对于PARP-2的活性。因此，本发明的化合物可用于治疗癌症、心血管疾病、中枢神经系统损伤和不同形式的炎症等疾病。本发明还提供了制备这些化合物的方法、包含这些化合物的制药组合物以及利用包含这些化合物的制药组合物治疗疾病的方法。
• 3-0X0-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES WITH SELECTIVE PARP-1 INHIBITION
  申请人：Papeo Gianluca Mariano Enrico

  公开号：US20120245143A1

  公开（公告）日：2012-09-27

  There are provided substituted 3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide derivatives (I) which selectively inhibit the activity of poly (ADP-ribose) polymerase PARP-1 with respect to poly (ADP-ribose) polymerase PARP-2. The compounds of this invention are therefore useful in treating diseases such as cancer, cardiovascular diseases, central nervous system injury and different forms of inflammation. The present invention also provides methods for preparing these compounds, pharmaceutical compositions comprising these compounds, and methods of treating diseases utilizing pharmaceutical compositions comprising these compounds.

  提供了替代3-氧代-2,3-二氢-1H-异吲哚-4-羧酰胺衍生物(I)，其对聚(ADP-核糖)聚合酶PARP-1的活性具有选择性抑制作用，相对于聚(ADP-核糖)聚合酶PARP-2。因此，本发明的化合物可用于治疗癌症、心血管疾病、中枢神经系统损伤和不同形式的炎症等疾病。本发明还提供了制备这些化合物的方法，包括这些化合物的制药组合物，以及利用这些化合物的制药组合物治疗疾病的方法。
• ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS
  申请人：Papeo Gianluca Mariano Enrico

  公开号：US20120157454A1

  公开（公告）日：2012-06-21

  There are provided substituted isoquinolin-1(2H)-one derivatives which selectively inhibit the activity of poly (ADP-ribose) polymerase PARP-1 with respect to poly (ADP-ribose) polymerase PARP-2. The compounds of the present invention are therefore useful in treating diseases such as cancer, cardiovascular diseases, central nervous system injury and different forms of inflammation. The present invention also provides methods for preparing these compounds, pharmaceutical compositions comprising these compounds, and methods of treating diseases utilizing pharmaceutical compositions comprising these compounds. A screening method for the identification of compounds capable of binding several PARP proteins, as well the probes used in such method, are further objects of the invention.

  本发明提供了替代异喹啉-1（2H）-酮衍生物，其选择性地抑制聚（ADP核糖）聚合酶PARP-1的活性，而与聚（ADP核糖）聚合酶PARP-2无关。因此，本发明的化合物可用于治疗癌症、心血管疾病、中枢神经系统损伤和不同形式的炎症等疾病。本发明还提供了制备这些化合物的方法，包括这些化合物的药物组合物，以及利用这些化合物的药物组合物治疗疾病的方法。本发明的另一个目标是筛选能够结合多种PARP蛋白的化合物的筛选方法，以及用于此类方法的探针。