甲苯磺酸尼拉帕尼

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 甲苯磺酸尼拉帕尼
• 中文别名: 甲苯磺酸尼拉帕尼一水物；甲苯磺酸尼拉帕尼一水合物
• 英文名称: niraparib tosylate monohydrate
• 英文别名: 4-methylbenzenesulfonate;2-[4-[(3S)-piperidin-1-ium-3-yl]phenyl]indazole-7-carboxamide;hydrate
• 化学式: C₇H₈O₃S*C₁₉H₂₀N₄O*H₂O
• 分子量: 510.614
• InChiKey: ACNPUCQQZDAPJH-FMOMHUKBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.01
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  137
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  Niraparib Intermediate 以95的产率得到甲苯磺酸尼拉帕尼
  参考文献：
  名称：

  Org. Process Res. Dev. 2014, 18, 215-227

  摘要：

  DOI：

文献信息

• [EN] PROCESSES FOR THE PREPARATION OF NIRAPARIB AND INTERMEDIATES THEREOF<br/>[FR] PROCÉDÉS DE PRÉPARATION DE NIRAPARIB ET INTERMÉDIAIRES DE CELUI-CI
  申请人：TEVA PHARMA

  公开号：WO2019036441A1

  公开（公告）日：2019-02-21

  The present invention relates to novel procedures and novel intermediates useful in the synthesis of Niraparib or any salt thereof.

  本发明涉及用于合成尼拉帕尼布或其任何盐的新型程序和新型中间体。
• REGIOSELECTIVE N-2 ARYLATION OF INDAZOLES
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20170137403A1

  公开（公告）日：2017-05-18

  A novel process is provided for the efficient preparation of an asymmetric compound of structural formula I: comprising a copper-catalyzed, carbon-nitrogen cross-coupling step. The process described as part of the present invention can be used to manufacture poly (ADP-ribose) polymerase (PARP) inhibitors, which may be useful for the treatment of cancer. In particular, the present invention describes a process for the manufacture of the PARP inhibitor, 2-4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide.

  本发明提供了一种高效制备结构式I的不对称化合物的新工艺，其中包括铜催化的碳氮交叉偶联步骤。所述的工艺可以用于制造聚(ADP-核糖)聚合酶(PARP)抑制剂，这些抑制剂可能有助于癌症的治疗。具体而言，本发明描述了一种用于制造PARP抑制剂2-4-[(3S)-哌啶-3-基]苯基}-2H-吲唑-7-甲酰胺的工艺。
• [EN] REGIOSELECTIVE N-2 ARYLATION OF INDAZOLES<br/>[FR] ARYLATION N-2 RÉGIOSÉLECTIVE D'INDAZOLES
  申请人：MERCK SHARP & DOHME

  公开号：WO2014088983A1

  公开（公告）日：2014-06-12

  A novel process is provided for the efficient preparation of an asymmetric compound of structural formula I: comprising a copper-catalyzed, carbon-nitrogen cross-coupling step. The process described as part of the present invention can be used to manufacture poly (ADP-ribose) polymerase (PARP) inhibitors, which may be useful for the treatment of cancer. In particular, the present invention describes a process for the manufacture of the PARP inhibitor, 2-4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide.

  提供了一种新颖的工艺，用于高效制备结构式I的不对称化合物，包括铜催化的碳氮交叉偶联步骤。本发明所描述的工艺可用于制造聚(ADP核糖)聚合酶(PARP)抑制剂，这些抑制剂可能对癌症的治疗有用。特别地，本发明描述了一种制造PARP抑制剂2-4-[(3S)-哌啶-3-基]苯基}-2H-吲唑-7-羧酰胺的工艺。
• Regioselective N-2 Arylation of Indazoles
  申请人：CHUNG Cheol K.

  公开号：US20150299167A1

  公开（公告）日：2015-10-22

  A novel process is provided for the efficient preparation of an asymmetric compound of structural formula I: comprising a copper-catalyzed, carbon-nitrogen cross-coupling step. The process described as part of the present invention can be used to manufacture poly (ADP-ribose) polymerase (PARP) inhibitors, which may be useful for the treatment of cancer. In particular, the present invention describes a process for the manufacture of the PARP inhibitor, 2-4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide.

  本发明提供了一种高效制备结构式I的不对称化合物的新工艺，其中包括铜催化的碳氮交叉偶联步骤。本发明所描述的工艺可用于制造聚(ADP-核糖)聚合酶(PARP)抑制剂，这些抑制剂可能对癌症治疗有用。特别地，本发明描述了一种用于制造PARP抑制剂2-4-[(3S)-哌啶-3-基]苯基}-2H-吲唑-7-甲酰胺的工艺。
• PHARMACEUTICALLY ACCEPTABLE SALTS OF 2--2H-INDAZOLE-7-CARBOXAMIDE
  申请人：Foley Jennifer R.

  公开号：US20100286203A1

  公开（公告）日：2010-11-11

  The present invention relates to pharmaceutically acceptable salts of an amide substituted indazole which are inhibitors of the enzyme poly(ADP-ribose)polymerase (PARP), previously known as poly(ADP-ribose)synthase and poly(ADP-ribosyl) transferase. The compounds of the present invention are useful as mono-therapies in tumors with specific defects in DNA-repair pathways and as enhancers of certain DNA-damaging agents such as anticancer agents and radiotherapy. Further, the compounds of the present invention are useful for reducing cell necrosis (in stroke and myocardial infarction), down regulating inflammation and tissue injury, treating retroviral infections and protecting against the toxicity of chemotherapy.

  本发明涉及一种酰胺取代吲唑的药物可接受的盐，该药物是多聚腺苷酸核苷酸聚合酶（PARP）的抑制剂，以前称为多聚腺苷酸合成酶和多聚腺苷酸基转移酶。本发明的化合物可用作单一治疗法，用于具有特定DNA修复途径缺陷的肿瘤，并作为某些DNA损伤剂（如抗癌剂和放射治疗）的增效剂。此外，本发明的化合物还可用于减少细胞坏死（在中风和心肌梗死中），下调炎症和组织损伤，治疗逆转录病毒感染，并保护化疗的毒性。