6-{4-[(5-oxo-1,2,3,4,5,6-hexahydrobenzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl}nicotinonitrile | 2055357-64-5

• 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: 6-{4-[(5-oxo-1,2,3,4,5,6-hexahydrobenzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl}nicotinonitrile
• 英文别名: Nesuparib；6-[4-[(5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
• CAS: 2055357-64-5
• 化学式: C₂₃H₂₄N₆O
• 分子量: 400.483
• InChiKey: GRPXLKXGJAGYSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  84.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-{4-[(5-oxo-1,2,3,4,5,6-hexahydrobenzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl}nicotinonitrile 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 以95 %的产率得到6-{4-[(5-oxo-1,2,3,4,5,6-hexahydrobenzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl}nicotinonitrile dihydrochloride
  参考文献：
  名称：

  WO2022/245125

  摘要：

  公开号：
• 作为产物：
  描述：

  6-[4-[[6-(Methoxymethyl)-5-oxo-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以65 %的产率得到6-{4-[(5-oxo-1,2,3,4,5,6-hexahydrobenzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl}nicotinonitrile
  参考文献：
  名称：

  WO2022/245125

  摘要：

  公开号：

文献信息

• Tricyclic derivative compound, method for preparing same, and pharmaceutical composition comprising same
  申请人：Je Il Pharmaceutical Co., Ltd.

  公开号：US10464919B2

  公开（公告）日：2019-11-05

  The present invention relates to novel tricyclic derivative compounds, and more specifically to tricyclic derivative compounds, optical isomers thereof, racemates thereof, or pharmaceutically acceptable salts thereof, which have excellent activity against PARP-1, tankyrase-1 or tankyrase-2. The tricyclic derivative compounds, optical isomers thereof, racemates thereof or pharmaceutically acceptable salts thereof according to the present invention have inhibitory activity against PARP-1, tankyrase-1, or tankyrase-2, and thus can be effectively used for the prevention or treatment of neuropathic pain, neurodegenerative diseases, cardiovascular diseases, diabetic neuropathy, inflammatory diseases, osteoporosis, or cancer.

  本发明涉及新型三环衍生物化合物，更具体地说，涉及对PARP-1、tankyrase-1或tankyrase-2具有优异活性的三环衍生物化合物、其光学异构体、外消旋体或其药学上可接受的盐。根据本发明的三环衍生物化合物、其光学异构体、其外消旋物或其药学上可接受的盐对PARP-1、tankyrase-1或tankyrase-2具有抑制活性，因此可有效地用于预防或治疗神经性疼痛、神经退行性疾病、心血管疾病、糖尿病神经病变、炎症性疾病、骨质疏松症或癌症。
• PARP INHIBITOR-RESISTANT CANCER THERAPEUTIC AGENT
  申请人：Onconic Therapeutics Inc.

  公开号：EP4342470A1

  公开（公告）日：2024-03-27

  The present invention relates to a pharmaceutical composition for treating or preventing a patient with solid cancer resistant to a PARP inhibitor. The pharmaceutical composition according to the present invention can effectively reduce tumor size in a patient with resistance to a PARP inhibitor.

  本发明涉及一种用于治疗或预防对PARP抑制剂具有耐药性的实体瘤癌症患者的药物组合物。根据本发明的药物组合物能够有效减少对PARP抑制剂产生耐药性的患者的肿瘤大小。
• TRICYCLIC DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME
  申请人：ONCONIC THERAPEUTICS INC.

  公开号：EP3312177B1

  公开（公告）日：2021-04-14
• Tricyclic Derivative Compound, Method for Preparing Same, and Pharmaceutical Composition Comprising Same
  申请人：Je Il Pharmaceutical Co., Ltd.

  公开号：US20180162834A1

  公开（公告）日：2018-06-14

  The present invention relates to novel tricyclic derivative compounds, and more specifically to tricyclic derivative compounds, optical isomers thereof, racemates thereof, or pharmaceutically acceptable salts thereof, which have excellent activity against PARP-1, tankyrase-1 or tankyrase-2. The tricyclic derivative compounds, optical isomers thereof, racemates thereof or pharmaceutically acceptable salts thereof according to the present invention have inhibitory activity against PARP-1, tankyrase-1, or tankyrase-2, and thus can be effectively used for the prevention or treatment of neuropathic pain, neurodegenerative diseases, cardiovascular diseases, diabetic neuropathy, inflammatory diseases, osteoporosis, or cancer.
• [EN] TRICYCLIC DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME<br/>[FR] COMPOSÉ DÉRIVÉ TRICYCLIQUE, SON PROCÉDÉ DE PRÉPARATION, ET COMPOSITION PHARMACEUTIQUE LE CONTENANT<br/>[KO] 트리사이클릭 유도체 화합물, 이의 제조방법 및 이를 포함하는 약학적 조성물
  申请人：JE IL PHARMACEUTICAL CO LTD

  公开号：WO2016200101A2

  公开（公告）日：2016-12-15

  본 발명은 신규한 트리사이클릭 유도체 화합물에 관한 것으로서, 보다 상세하게는 우수한 PARP-1. 탄키라제-1 또는 탄키라제-2 저해 활성을 갖는 트리사이클릭 유도체 화합물, 이의 광학이성질체, 이의 라세미체 또는 이의 약학적으로 허용가능한 염에 관한 것이다. 본 발명에 따른 트리사이클릭 유도체 화합물, 이의 광학이성질체, 이의 라세미체 또는 이의 약학적으로 허용 가능한 염은 PARP-1. 탄키라제-1 또는 탄키라제-2 저해 활성을 통하여 신경병리성 동통, 신경퇴화질환, 심혈관계 질환, 당뇨로 인한 신경병증, 염증성 질환, 골다공증 또는 암의 예방 또는 치료에 유용하게 사용될 수 있다.