2-Chloro-N-(5,6-dihydro-6-oxo-2-phenanthridinyl)acetamide | 344458-29-3

• 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: 2-Chloro-N-(5,6-dihydro-6-oxo-2-phenanthridinyl)acetamide
• 英文别名: N-(6-oxo-5,6-dihydro-phenanthridin-2-yl)-chloroacetamide；2-chloro-N-(6-oxo-5,6-dihydro-phenanthridin-2-yl)-acetamide；N-(6-oxo-5, 6-dihydro-phenanthridin-2-yl)-chloroacetamide；2-chloro-N-(6-oxo-5H-phenanthridin-2-yl)acetamide
• CAS: 344458-29-3
• 化学式: C₁₅H₁₁ClN₂O₂
• 分子量: 286.718
• InChiKey: HMDOHPGJNQMWJO-UHFFFAOYSA-N

物化性质

• 沸点：
  458.7±38.0 °C(Predicted)
• 密度：
  1.411±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Chloro-N-(5,6-dihydro-6-oxo-2-phenanthridinyl)acetamide 在 盐酸 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-(3-amino-propylamino)-N-(6-oxo-5,6-dihydro-phenanthridin-2-yl)-acetamide hydrochloride
  参考文献：
  名称：

  [EN] 3-0X0-2, 3, -DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES WITH SELECTIVE PARP-1 INHIBITION
  [FR] 3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES PRÉSENTANT UNE INHIBITION SÉLECTIVE DE LA PARP-1

  摘要：

  公开号：

  WO2011006803A9
• 作为产物：
  描述：

  2-aminophenanthridin-6(5H)-one 、 氯乙酰氯 在 sodium hydroxide 作用下， 生成 2-Chloro-N-(5,6-dihydro-6-oxo-2-phenanthridinyl)acetamide
  参考文献：
  名称：

  Sulfonamide and carbamide derivatives of 6(5H)phenanthridinones and their uses

  摘要：

  这项发明涉及化合物、药物组合物和利用所披露的化合物抑制PARP的方法。

  公开号：

  US20020006927A1

文献信息

• Methods for the treatment of neurodegenerative disorders using substituted phenanthridinone derivatives
  申请人：Inotek Pharmaceutical Corporation

  公开号：US06531464B1

  公开（公告）日：2003-03-11

  This invention provides a novel class of substituted 6(5H)phenanthridinone compounds. The invention also includes pharmaceutical compositions, and methods of making and using the compounds, or a pharmaceutically acceptable salt, hydrate, prodrug, or mixture thereof. Methods of using the compounds and pharmaceutical compositions for treating neurodegenerative disorders, such as multiple sclerosis are also described.

  本发明提供了一类新型的取代的6（5H）苯并咪唑酮化合物。本发明还包括制备和使用该化合物或药物可接受的盐，水合物，前药或混合物的制药组合物的方法。还描述了使用该化合物和制药组合物治疗神经退行性疾病，如多发性硬化症的方法。
• Substituted phenanthridinones and methods of use thereof
  申请人：Inotek Pharamaceuticals Corporation

  公开号：US06476048B1

  公开（公告）日：2002-11-05

  This invention provides a novel class of substituted 6(5H)phenanthridinone compounds. Pharmaceutical compositions, and methods of making and using the compounds, or a pharmaceutically acceptable salt, hydrate, prodrug, or mixture thereof are also described.

  这项发明提供了一类新型的取代6(5H)苯并咪唑酮化合物。还描述了制备和使用该化合物或其药学上可接受的盐、水合物、前药或混合物的药物组合物和方法。
• [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。