2,5-二氟-3-甲酰基-苯甲酸甲酯 | 952480-00-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,5-二氟-3-甲酰基-苯甲酸甲酯
• 英文名称: methyl 2,5-difluoro-3-formylbenzoate
• CAS: 952480-00-1
• 化学式: C₉H₆F₂O₃
• 分子量: 200.142
• InChiKey: NBISMVWFNSDEKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,5-二氟-3-甲酰基-苯甲酸甲酯 在 sodium azide 、 氨 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.67h， 生成 3-[7-(aminocarbonyl)-5-fluoro-2H-indazol-2-yl]pyrrolidinium trifluoroacetate
  参考文献：
  名称：

  WO2007/113596

  摘要：

  公开号：

文献信息

• Amide substituted indazoles as poly(ADP-ribose)polymerase(PARP) inhibitors
  申请人：Jones Philip

  公开号：US20080167345A1

  公开（公告）日：2008-07-10

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

  本发明涉及式I的化合物及其药物可接受的盐、立体异构体或互变异构体，其为多聚（ADP核糖）聚合酶（PARP）的抑制剂，因此用于治疗癌症、炎症性疾病、再灌注损伤、缺血症、中风、肾衰竭、心血管疾病、除心血管疾病外的其他血管疾病、糖尿病、神经退行性疾病、逆转录病毒感染、视网膜损伤或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和/或放射增敏剂。
• Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors
  申请人：Boueres Julia

  公开号：US20090275619A1

  公开（公告）日：2009-11-05

  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, ischemic conditions, stroke, renal failure, cardiovascular diseases, vascular diseases other than cardiovascular diseases, diabetes, neurodegenerative diseases, retroviral infection, retinal damage or skin senescence and UV-induced skin damage, and as chemo- or radiosensitizers for cancer treatment.

  本发明涉及式(I)化合物及其药学上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、视网膜损伤或皮肤衰老和紫外线诱导的皮肤损伤的治疗，以及作为化疗或放疗增敏剂用于癌症治疗。
• AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS
  申请人：Boueres Julia

  公开号：US20110201657A1

  公开（公告）日：2011-08-18

  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, ischemic conditions, stroke, renal failure, cardiovascular diseases, vascular diseases other than cardiovascular diseases, diabetes, neurodegenerative diseases, retroviral infection, retinal damage or 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、除心血管疾病外的其他血管疾病、糖尿病、神经退行性疾病、逆转录病毒感染、视网膜损伤或皮肤衰老和紫外线诱导的皮肤损伤的治疗，以及作为癌症治疗的化疗或放疗增敏剂。
• Combinations containing amide substituted indazoles as poly(ADP-ribose)polymerase (PARP) inhibitors
  申请人：Istituto di ricerche di Biologia Molecolare P. Angeletti S.R.L.

  公开号：EP2336120A1

  公开（公告）日：2011-06-22

  The present invention relates to combinations of compounds of formula I: and other anti-cancer agents which are useful for the treatment of cancer, inflammatory diseases, reperfusion injuries, ischemic conditions, stroke, renal failure, cardiovascular diseases, vascular diseases other than cardiovascular diseases, diabetes, neurodegenerative diseases, retroviral infection, retinal damage and skin senescence and UV-induced skin damage.

  本发明涉及式 I 化合物的组合： 和其他抗癌剂的组合，它们可用于治疗癌症、炎症性疾病、再灌注损伤、缺血性疾病、中风、肾功能衰竭、心血管疾病、心血管疾病以外的血管疾病、糖尿病、神经退行性疾病、逆转录病毒感染、视网膜损伤和皮肤衰老以及紫外线引起的皮肤损伤。
• Synthesis and biological evaluation of substituted 2-phenyl-2H-indazole-7-carboxamides as potent poly(ADP-ribose) polymerase (PARP) inhibitors
  作者：Rita Scarpelli、Julia K. Boueres、Mauro Cerretani、Federica Ferrigno、Jesus M. Ontoria、Michael Rowley、Carsten Schultz-Fademrecht、Carlo Toniatti、Philip Jones

  DOI：10.1016/j.bmcl.2009.11.127

  日期：2010.1

  A potent series of substituted 2-phenyl-2H-indazole-7-carboxamides were synthesized and evaluated as inhibitors of poly (ADP-ribose) polymerase (PARP). This extensive SAR exploration culminated with the identification of substituted 5-fluoro-2-phenyl-2H-indazole-7-carboxamide analog 48 which displayed excellent PARP enzyme inhibition with IC(50) = 4 nM, inhibited proliferation of cancer cell lines deficient in BRCA-1 with CC(50) = 42 nM and showed encouraging pharmacokinetic properties in rats compared to the lead 6. (C) 2009 Elsevier Ltd. All rights reserved.