9-[N-(3-[imidazolo-1-yl]propyl)aminosulphonyl]-5,6-dihydro-5-oxo-11H-indeno-[1,2-c]isoquinoline | 501364-84-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 9-[N-(3-[imidazolo-1-yl]propyl)aminosulphonyl]-5,6-dihydro-5-oxo-11H-indeno-[1,2-c]isoquinoline
• 英文别名: N-[3-(1H-imidazol-1-yl)propyl]-8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-14-sulfonamide；N-(3-imidazol-1-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
• CAS: 501364-84-7
• 化学式: C₂₂H₂₀N₄O₃S
• 分子量: 420.492
• InChiKey: QCWLOIVYNILCTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5H-茚并[1,2-c]异喹啉-5-酮,6,11-二氢- 在 磺酰氯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 9-[N-(3-[imidazolo-1-yl]propyl)aminosulphonyl]-5,6-dihydro-5-oxo-11H-indeno-[1,2-c]isoquinoline
  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

• Isoquinoline derivatives and methods of use thereof
  申请人：——

  公开号：US20040039009A1

  公开（公告）日：2004-02-26

  The invention provides novel classes of Isoquinoline Derivatives. Pharmaceutical compositions and methods of making and using the compounds, are also described.

  这项发明提供了新型的异喹啉衍生物。还描述了制备和使用这些化合物的药物组合物和方法。
• Methods for treating or preventing erectile dysfunction or urinary incontinence
  申请人：Szabo Csaba

  公开号：US20060019980A1

  公开（公告）日：2006-01-26

  The present invention relates to methods for treating or preventing erectile dysfunction or urinary incontinence, comprising administering to a subject in need thereof an effective amount of a compound of the invention.

  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。
• Substituted indeno[1,2-c]isoquinoline derivatives and methods of use thereof
  申请人：——

  公开号：US20030171392A1

  公开（公告）日：2003-09-11

  The invention provides novel classes of substituted Indeno[1,2-c]isoquinoline Compounds. Pharmaceutical compositions and methods of making and using the compounds, are also described.

  这项发明提供了新型的取代Indeno［1,2-c］异喹啉化合物。还描述了制备和使用这些化合物的药物组合物和方法。
• ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF
  申请人：Jagtap Prakash

  公开号：US20080262016A1

  公开（公告）日：2008-10-23

  The invention provides novel classes of Isoquinoline Derivatives. Pharmaceutical compositions and methods of making and using the compounds, are also described.

  这项发明提供了新型异喹啉衍生物类。还描述了药物组合物以及制备和使用这些化合物的方法。
• Substituted indeno[1,2-c]isoquinoline derivatives and uses thereof
  申请人：Inotek Pharmaceuticals Corporation

  公开号：EP2174659A1

  公开（公告）日：2010-04-14

  The invention provides novel classes of substituted indeno[1,2-c]isoquinoline compounds. Pharmaceutical compositions and methods of making and using the compounds are also described.

  本发明提供了新类别的取代茚并[1,2-c]异喹啉化合物。本发明还描述了制造和使用这些化合物的药物组合物和方法。