2-(4-(pyrimidine-2-yl)piperazin-1-yl)-1H-benzimidazole-4-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-(4-(pyrimidine-2-yl)piperazin-1-yl)-1H-benzimidazole-4-carboxamide
• 英文别名: 2-(4-(pyrimidin-2-yl)piperazin-1-yl)-1H-benzimidazole-4-carboxamide；2-(4-(pyrimidin-2-yl)piperazin-1-yl)-1H-benzoimidazol-4-formamide；2-[4-(2-Pyrimidinyl)-1-piperazinyl]-1h-benzimidazole-7-carboxamide；2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
• 化学式: C₁₆H₁₇N₇O
• 分子量: 323.357
• InChiKey: HVYNWTOZTVWLFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,3-二氨基苯甲酸甲酯 在 ammonium hydroxide 、 三乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 40.0h， 生成 2-(4-(pyrimidine-2-yl)piperazin-1-yl)-1H-benzimidazole-4-carboxamide
  参考文献：
  名称：

  벤조이미다졸-2-피페라진 헤테로고리 화합물, 그 약물 조성물 및 그 제조방법과 용도

  摘要：

  This is a patent related to a novel benzimidazole-2-piperazinyl heterocyclic derivative represented by the chemical formula (I), its preparation method, and its pharmaceutical applications. Specifically, the invention relates to a novel benzimidazole-2-piperazinyl heterocyclic derivative represented by the chemical formula (I), its preparation method, a pharmaceutical composition containing this derivative, and its use as a therapeutic agent, particularly as a poly(ADP-ribose) polymerase (PARP) inhibitor.

  公开号：

  KR20160021845A

文献信息

• 苯并咪唑-2-哌嗪杂环类化合物、其药物组合物 及其制备方法和用途
  申请人：上海汇伦生命科技有限公司

  公开号：CN104230898B

  公开（公告）日：2016-06-29

  本发明苯并咪唑-2-哌嗪杂环类化合物、其药物组合物及其制备方法和用途，涉及氰基嘧啶化合物、其制备方法及其在医药上的应用。具体的，本发明涉及一种式（19）所示的新的氰基嘧啶化合物、其制备方法及含有该化合物的药物组合物以及其作为治疗剂特别是作为聚（ADP-核糖）聚合酶（PARP）抑制剂的用途。 。
• 벤조이미다졸-2-피페라진 헤테로고리 화합물, 그 약물 조성물 및 그 제조방법과 용도
  申请人：SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD 상하이 휘룽 라이프 사이언스 & 테크놀로지 코., 엘티디(520160032257)

  公开号：KR20160021845A

  公开（公告）日：2016-02-26

  본 발명은 벤조이미다졸-2-피페라진헤테로고리 유도체, 그 제조방법 및 그의 약학적 응용에 관한 것이다. 구체적으로, 본 발명은 화학식(I)로 표시되는 신규 벤조이미다졸-2-피페라진헤테로고리 유도체, 그 제조방법 및 이 유도체를 함유하는 약물 조성물 그리고 이의 치료제로서의, 특히 폴리(ADP-리보오스)중합효소(PARP) 억제제로서의 용도에 관한 것이다.

  This is a patent related to a novel benzimidazole-2-piperazinyl heterocyclic derivative represented by the chemical formula (I), its preparation method, and its pharmaceutical applications. Specifically, the invention relates to a novel benzimidazole-2-piperazinyl heterocyclic derivative represented by the chemical formula (I), its preparation method, a pharmaceutical composition containing this derivative, and its use as a therapeutic agent, particularly as a poly(ADP-ribose) polymerase (PARP) inhibitor.
• BENZIMIDAZOLE-2-PIPERAZINE HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD AND USE THEREOF
  申请人：Shanghai Huilun Life Science & Technology Co., Ltd

  公开号：EP3012256A1

  公开（公告）日：2016-04-27

  The present invention relates to a class of benzimidazole-2-piperazine heterocyclic derivatives, a preparation method and medical use thereof. Specifically, the present invention relates to a new benzimidazole-2-piperazine heterocyclic derivative of general Formula (I), a preparation method, a pharmaceutical composition containing the same, and use thereof as a therapeutic agent and especially as a poly(ADP-ribose)polymerase (PARP) inhibitor.

  本发明涉及一类苯并咪唑-2-哌嗪杂环衍生物、其制备方法和医疗用途。具体而言，本发明涉及通式（I）的一种新的苯并咪唑-2-哌嗪杂环衍生物、制备方法、含有该衍生物的药物组合物，以及其作为治疗剂，特别是作为聚（ADP-核糖）聚合酶（PARP）抑制剂的用途。
• Benzimidazole-2-piperazine heterocyclic compound, pharmaceutical composition containing the same, preparation method and use thereof
  申请人：Shanghai Huilun Life Science & Technology Co., Ltd.

  公开号：US10196381B2

  公开（公告）日：2019-02-05

  The present invention relates to a class of benzimidazole-2-piperazine heterocyclic derivatives, a preparation method and medical use thereof. Specifically, the present invention relates to a new benzimidazole-2-piperazine heterocyclic derivative of general Formula (I), a preparation method, a pharmaceutical composition containing the same, and use thereof as a therapeutic agent and especially as a poly(ADP-ribose)polymerase (PARP) inhibitor.

  本发明涉及一类苯并咪唑-2-哌嗪杂环衍生物、其制备方法和医疗用途。具体而言，本发明涉及通式（I）的一种新的苯并咪唑-2-哌嗪杂环衍生物、制备方法、含有该衍生物的药物组合物，以及其作为治疗剂，特别是作为聚（ADP-核糖）聚合酶（PARP）抑制剂的用途。
• [EN] BENZIMIDAZOLE-2-PIPERAZINE HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD AND USE THEREOF<br/>[FR] COMPOSÉ HÉTÉROCYCLIQUE DE BENZIMIDAZOLE-2-PIPÉRAZINE, COMPOSITION PHARMACEUTIQUE LE CONTENANT, PROCÉDÉ DE PRÉPARATION ET D'UTILISATION ASSOCIÉ
  申请人：SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO LTD

  公开号：WO2014201972A1

  公开（公告）日：2014-12-24

  本发明涉及一类苯并咪唑-2-哌嗪杂环类衍生物、其制备方法及其在医药上的应用。具体的，本发明涉及一种通式（I）所示的新的苯并咪唑-2-哌嗪杂环类衍生物、其制备方法及含有该衍生物的药物组合物以及其作为治疗剂特别是作为聚(ADP-核糖)聚合酶（PARP）抑制剂的用途。