3-(3,5-difluorophenyl)-7-{5-[(4,5-dimethyl-6-oxo-1,6-dihydropyridazin-3-yl)methyl]-2-fluorobenzoyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-1-ium trifluoroacetate | 959840-47-2

• 分子结构分类: 有机化合物
• 英文名称: 3-(3,5-difluorophenyl)-7-{5-[(4,5-dimethyl-6-oxo-1,6-dihydropyridazin-3-yl)methyl]-2-fluorobenzoyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-1-ium trifluoroacetate
• 英文别名: 3-[[3-[3-(3,5-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-4,5-dimethyl-1H-pyridazin-6-one;2,2,2-trifluoroacetic acid
• CAS: 959840-47-2
• 化学式: C₂HF₃O₂*C₂₅H₂₁F₃N₆O₂
• 分子量: 608.5
• InChiKey: LTGIWVIPZKRKHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.94
• 重原子数：
  43
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  135
• 氢给体数：
  2
• 氢受体数：
  12

文献信息

• Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp)
  申请人：Jones Philip

  公开号：US20090176765A1

  公开（公告）日：2009-07-09

  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, retinal damage, skin senescence and UV-induced skin damage, and as chemo- or radiosensitizers for cancer treatment.

  本发明涉及式I的化合物及其药用可接受的盐或互变异构体，这些化合物是多聚腺苷二磷酸核糖聚合酶（PARP）的抑制剂，因此可用于治疗癌症、炎症性疾病、再灌注损伤、缺血症状、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，以及作为癌症治疗的化疗或放射敏感剂。
• PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP)
  申请人：ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A.

  公开号：EP2029551A2

  公开（公告）日：2009-03-04
• US8188084B2
  申请人：——

  公开号：US8188084B2

  公开（公告）日：2012-05-29
• [EN] PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP)<br/>[FR] DÉRIVÉS DE PYRIDINONE ET DE PYRIDAZINONE INHIBITEURS DE LA POLY(ADP-RIBOSE)POLYMÉRASE (PARP)
  申请人：ANGELETTI P IST RICHERCHE BIO

  公开号：WO2007138351A2

  公开（公告）日：2007-12-06

  [EN] 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, retinal damage, skin senescence and UV-induced skin damage, and as chemo- or radiosensitizers for cancer treatment.
  [FR] L'invention porte sur des composés de formule (I) et leurs sels ou tautomères pharmacocompatibles, inhibiteurs de la poly (ADP-ribose) polymérase (PARP), et s'avérant de ce fait utiles pour traiter: le cancer, les maladies inflammatoires, les lésions de reperfusion, les ischémies, les attaques, l'insuffisance cardiaque, les maladies cardiovasculaires, et vasculaires non cardiovasculaires, le diabète sucré, les maladies neurodégénératives, les infections rétrovirales, les lésions de la rétine, la sénescence de la peau, et les lésions de la peau par les UV, et par les chimio ou radiosensibilisateurs du traitement du cancer.