6-(4-fluoro-3-{[3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazin-1-yl]carbonyl}benzyl)-4,5-dimethyl-3-oxo-2,3-dihydropyridazin-1-ium trifluoroacetate | 1154869-83-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 6-(4-fluoro-3-{[3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazin-1-yl]carbonyl}benzyl)-4,5-dimethyl-3-oxo-2,3-dihydropyridazin-1-ium trifluoroacetate
• 英文别名: 3-[[4-fluoro-3-[3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]-4,5-dimethyl-1H-pyridazin-6-one;2,2,2-trifluoroacetic acid
• CAS: 1154869-83-6
• 化学式: C₂HF₃O₂*C₂₉H₃₁FN₄O₃
• 分子量: 616.612
• InChiKey: AKXHIHZBJKPCDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.15
• 重原子数：
  44
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• [EN] PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS<br/>[FR] DERIVÉS DE PYRIDAZINONE INHIBITEURS DE LA PARP
  申请人：ANGELETTI P IST RICHERCHE BIO

  公开号：WO2009063244A1

  公开（公告）日：2009-05-22

  The present invention relates to compounds of formula (I): and pharmaceutically acceptable salts or tautomers thereof which are inhibitors of poly(ADP-ribose)polymerase (PARP) and thus useful for the treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, vascular diseases other than cardiovascular diseases, diabetes mellitus, neurodegenerative diseases, retroviral infections, retinaldamage, skin senescence and UV-induced skin damage, and as chemo-or radiosensitizers for cancer treatment.

  本发明涉及式(I)化合物及其药用可接受的盐或互变异构体，它们是聚(ADP-核糖)聚合酶（PARP）的抑制剂，因此可用于治疗癌症、炎症性疾病、再灌注损伤、缺血情况、中风、肾衰竭、心血管疾病、非心血管疾病的血管疾病、糖尿病、神经退行性疾病、逆转录病毒感染、视网膜损伤、皮肤老化和紫外线诱导的皮肤损伤，并用作癌症治疗的化疗或放射敏化剂。
• PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS
  申请人：Branca Danila

  公开号：US20100261709A1

  公开（公告）日：2010-10-14

  The present invention relates to compounds of formula (I): and pharmaceutically acceptable salts or tautomers thereof which are inhibitors of poly(ADP-ribose)polymerase (PARP) and thus useful for the treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, vascular diseases other than cardiovascular diseases, diabetes mellitus, neurodegenerative diseases, retroviral infections, retinaldamage, skin senescence and UV-induced skin damage, and as chemo- or radiosensitizers for cancer treatment.

  本发明涉及公式（I）的化合物及其药学上可接受的盐或互变异构体，这些化合物是聚（ADP核糖）聚合酶（PARP）的抑制剂，因此可用于治疗癌症、炎症性疾病、再灌注损伤、缺血性疾病、中风、肾衰竭、心血管疾病、除心血管疾病外的血管疾病、糖尿病、神经退行性疾病、逆转录病毒感染、视网膜损伤、皮肤衰老和紫外线诱导的皮肤损伤，并作为癌症治疗的化疗或放疗增敏剂。
• US8268827B2
  申请人：——

  公开号：US8268827B2

  公开（公告）日：2012-09-18