6-(4-isopropyl-piperazin-1-yl)-nicotinonitrile | 919496-34-7

• 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-isopropyl-piperazin-1-yl)-nicotinonitrile
• 英文别名: 6-(4-Isopropylpiperazin-1-yl)nicotinonitrile；6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile
• CAS: 919496-34-7
• 化学式: C₁₃H₁₈N₄
• mdl: MFCD12562376
• 分子量: 230.313
• InChiKey: UBQZYDDWRZOIRO-UHFFFAOYSA-N

物化性质

• 沸点：
  388.2±42.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  43.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-(4-isopropyl-piperazin-1-yl)-nicotinonitrile 在 盐酸羟胺 、 potassium carbonate 作用下， 以 乙醇 、 水 为溶剂， 反应 3.5h， 以76%的产率得到N-hydroxy-6-(4-isopropyl-piperazin-1-yl)-nicotinamidine
  参考文献：
  名称：

  WO2007/3604

  摘要：

  公开号：
• 作为产物：
  描述：

  1-异丙基哌嗪 、 6-氯-3-氰基吡啶 以 二甲基亚砜 为溶剂， 反应 3.0h， 以82%的产率得到6-(4-isopropyl-piperazin-1-yl)-nicotinonitrile
  参考文献：
  名称：

  WO2007/3604

  摘要：

  公开号：

文献信息

• HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS
  申请人：Incyte Corporation

  公开号：US20180009816A1

  公开（公告）日：2018-01-11

  This application relates to compounds of Formula (I): or pharmaceutically acceptable salts or stereoisomers thereof, which are inhibitors of PI3K-γ which are useful for the treatment of disorders such as autoimmune diseases, cancer, cardiovascular diseases, and neurodegenerative diseases.

  这种应用涉及到式（I）的化合物： 或其药用可接受的盐或立体异构体，这些化合物是PI3K-γ的抑制剂，对于治疗自身免疫疾病、癌症、心血管疾病和神经退行性疾病等疾病是有用的。
• 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE
  申请人：INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

  公开号：US20150099732A1

  公开（公告）日：2015-04-09

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain 3-aryl-5-substituted-2H-isoquinolin-1-one compounds that, inter alia, inhibit PARP (e.g., PARP1, TNKS1, TNKS2, etc.) and/or Wnt signalling. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit PARP (e.g., PARP1, TNKS1, TNKS2, etc.); to inhibit Wnt signalling; to treat disorders that are ameliorated by the inhibition of PARP (e.g., PARP1, TNKS1, TNKS2, etc.); to treat disorders that are ameliorated by the inhibition of Wnt signalling; to treat proliferative conditions such as cancer, etc.

  本发明通常涉及治疗化合物领域。更具体地，本发明涉及某些3-芳基-5-取代-2H-异喹啉-1-酮化合物，该化合物在抑制PARP（例如PARP1，TNKS1，TNKS2等）和/或Wnt信号传导方面具有作用。本发明还涉及包含这些化合物的药物组合物，以及利用这些化合物和组合物，在体内和体外，来抑制PARP（例如PARP1，TNKS1，TNKS2等）；抑制Wnt信号传导；治疗通过抑制PARP（例如PARP1，TNKS1，TNKS2等）改善的疾病；治疗通过抑制Wnt信号传导改善的疾病；治疗癌症等增生症状。
• Novel Medicaments
  申请人：Hohlweg Rolf

  公开号：US20090312309A1

  公开（公告）日：2009-12-17

  Novel compounds which interact with the histamine H3 receptor are defined. These compounds are particularly useful in the treatment of a variety of diseases or conditions in which histamine H3 interactions are beneficial. Thus, the compounds may find use, e.g., in the treatment of diseases of the central nervous system, the peripheral nervous system, the cardiovascular system, the pulmonary system, the gastrointestinal system and the endocrinological system. The novel compounds have a core consisting of a 6 membered aromatic ring containing at least one nitrogen atom and two carbon atoms in the ring and, at the remaining positions in the ring, there is either a carbon or a nitrogen atom.

  定义了与组胺H3受体相互作用的新化合物。这些化合物在治疗多种疾病或病况中特别有用，其中组胺H3相互作用是有益的。因此，这些化合物可能用于治疗中枢神经系统、外周神经系统、心血管系统、肺系统、胃肠系统和内分泌系统的疾病，例如。新的化合物具有一个核心，其中包含至少一个氮原子和两个碳原子的6元芳香环，并且在环中的其余位置上，有一个碳原子或一个氮原子。
• Medicaments
  申请人：Hohlweg Rolf

  公开号：US08501739B2

  公开（公告）日：2013-08-06

  Novel compounds which interact with the histamine H3 receptor are defined. These compounds are particularly useful in the treatment of a variety of diseases or conditions in which histamine H3 interactions are beneficial. Thus, the compounds may find use, e.g., in the treatment of diseases of the central nervous system, the peripheral nervous system, the cardiovascular system, the pulmonary system, the gastrointestinal system and the endocrinological system. The novel compounds have a core consisting of a 6 membered aromatic ring containing at least one nitrogen atom and two carbon atoms in the ring and, at the remaining positions in the ring, there is either a carbon or a nitrogen atom.

  定义了与组胺H3受体相互作用的新化合物。这些化合物在治疗多种疾病或状况中特别有用，其中组胺H3相互作用是有益的。因此，这些化合物可以在治疗中枢神经系统、外周神经系统、心血管系统、肺系统、胃肠系统和内分泌系统的疾病中发挥作用。这些新化合物具有一个核心，其中包含至少一个氮原子和两个碳原子的6元芳香环，并且在环中的其余位置上，要么是碳原子，要么是氮原子。
• Histamine H3 receptor antagonists
  申请人：High Point Pharmaceuticals, LLC

  公开号：EP2233470A1

  公开（公告）日：2010-09-29

  Novel compounds of formula I-9: which interact with the histamine H3 receptor are defined. These compounds are particularly useful in the treatment of a variety of diseases or conditions in which histamine H3 interactions are beneficial. Thus, the compounds may find use, e.g., in the treatment of diseases of the central nervous system, the peripheral nervous system, the cardiovascular system, the pulmonary system, the gastrointestinal system and the endocrinological system. The novel compounds have a core consisting of a 6 membered aromatic ring containing at least one nitrogen atom and two carbon atoms in the ring and, at the remaining positions in the ring, there is either a carbon or a nitrogen atom.

  式 I-9 的新型化合物： 定义了与组胺 H3 受体相互作用的新型化合物。这些化合物特别适用于治疗组胺 H3 相互作用有益的各种疾病或病症。因此，这些化合物可用于治疗中枢神经系统、周围神经系统、心血管系统、肺部系统、胃肠道系统和内分泌系统等疾病。这些新型化合物的核心是一个 6 个成员的芳香环，环中至少含有一个氮原子和两个碳原子，在环的其余位置，要么有一个碳原子，要么有一个氮原子。