2-dimethylamino-N-(5,6-dihydro-5-oxo-indeno[1,2-c]isoquinolin-9-yl)-acetamide | 864063-33-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-dimethylamino-N-(5,6-dihydro-5-oxo-indeno[1,2-c]isoquinolin-9-yl)-acetamide
• 英文别名: 2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}acetamide；2-(dimethylamino)-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide
• CAS: 864063-33-2
• 化学式: C₂₀H₁₉N₃O₂
• 分子量: 333.39
• InChiKey: XKNXBYTWJAJGON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  61.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-dimethylamino-N-(5,6-dihydro-5-oxo-indeno[1,2-c]isoquinolin-9-yl)-acetamide 、 camphor-10-sulfonic acid 以 甲醇 为溶剂， 反应 1.0h， 以75%的产率得到N-[5,6-dihydro-5-oxo-indeno[1,2-c]isoquinolin-9-yl]-N,N-dimethylacetamide camphorsulfonic acid salt
  参考文献：
  名称：

  Methods for treating or preventing erectile dysfunction or urinary incontinence

  摘要：

  本发明涉及治疗或预防勃起功能障碍或尿失禁的方法，包括向需要的受试者施用本发明的化合物的有效量。

  公开号：

  US20060019980A1
• 作为产物：
  描述：

  5,6-dihydro-5-oxo-9-nitro-indeno[1,2-c]isoquinoline 在 palladium on activated charcoal 、 ammonium formate 、 碳酸氢钠 作用下， 以 乙醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 2-dimethylamino-N-(5,6-dihydro-5-oxo-indeno[1,2-c]isoquinolin-9-yl)-acetamide
  参考文献：
  名称：

  Discovery of Potent Poly(ADP-ribose) Polymerase-1 Inhibitors from the Modification of Indeno[1,2-c]isoquinolinone

  摘要：

  Novel indeno[1,2-c]isoquinolinone derivatives were synthesized and evaluated as inhibitors of the nuclear enzyme poly(ADP-ribose) polymerase-1 (PARP-1). These potent nonmutagenic PARP-1 inhibitors possess an additional five-membered ring between the B and C rings of 6(5H)-phenanthridinone. The most potent PARP-1 inhibitors were obtained from the substitution of the D ring at the C-9 position, in particular sulfonamide and N-acyl analogues (6 and 11). The 9-sulfonamide analogues 11a and 12a exhibited IC50 values of 1 and 10 nM, respectively.

  DOI：

  10.1021/jm0502891

文献信息

• [EN] ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF<br/>[FR] DERIVES D'ISOQUINOLINE ET METHODES D'UTILISATION
  申请人：INOTEK PHARMACEUTICALS CORP

  公开号：WO2005082368A1

  公开（公告）日：2005-09-09

  The present invention relates to Isoquinoline Derivatives, compositions comprising an effective amount of a Isoquinoline Derivative and methods for treating or preventing an inflammatory disease, a reperfusion injury, an ischemic condition, renal failure, diabetes, a diabetic complication, a vascular disease other than a cardiovascular disease, cardiovascular disease, reoxygenation injury resulting from organ transplantation, Parkinson's disease, or cancer, comprising administering to an animal in need thereof an effective amount of a Isoquinoline Derivative.

  本发明涉及异喹啉衍生物，包括含有有效量的异喹啉衍生物的组合物，以及用于治疗或预防炎症性疾病、再灌注损伤、缺血状况、肾衰竭、糖尿病、糖尿病并发症、心血管疾病以外的血管疾病、心血管疾病、器官移植导致的再氧化损伤、帕金森病或癌症的方法，包括向需要此的动物施用有效量的异喹啉衍生物。
• Isoquinoline derivatives and methods of use thereof
  申请人：Jagtap Prakash

  公开号：US20050228007A1

  公开（公告）日：2005-10-13

  The present invention relates to Isoquinoline Derivatives, compositions comprising an effective amount of a Isoquinoline Derivative and methods for treating or preventing an inflammatory disease, a reperfusion injury, an ischemic condition, renal failure, diabetes, a diabetic complication, a vascular disease other than a cardiovascular disease, cardiovascular disease, reoxygenation injury resulting from organ transplantation, Parkinson's disease, or cancer, comprising administering to an animal in need thereof an effective amount of a Isoquinoline Derivative.

  本发明涉及异喹啉衍生物、包含有效量的异喹啉衍生物的组合物以及用于治疗或预防炎症性疾病、再灌注损伤、缺血状态、肾功能衰竭、糖尿病、糖尿病并发症、心血管疾病以外的血管疾病、心血管疾病、器官移植引起的再氧化损伤、帕金森病或癌症的方法，包括向需要的动物施用有效量的异喹啉衍生物。
• ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF
  申请人：Inotek Pharmaceuticals Corporation

  公开号：EP1722797A1

  公开（公告）日：2006-11-22
• EP1722797A4
  申请人：——

  公开号：EP1722797A4

  公开（公告）日：2008-03-19
• METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE
  申请人：Inotek Pharmaceuticals Corporation

  公开号：EP1784186A2

  公开（公告）日：2007-05-16