5-dipropylamino-2-(2-methoxy-4,6-dimethyl-phenyl)-6-methyl-3H-pyrimidin-4-one | 391936-61-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-dipropylamino-2-(2-methoxy-4,6-dimethyl-phenyl)-6-methyl-3H-pyrimidin-4-one
• 英文别名: 5-Dipropylamino-2-(2-methoxy-4,6-dimethyl-phenyl)-6-methyl-3H-pyrimidin-4-one；5-(dipropylamino)-2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1H-pyrimidin-6-one
• CAS: 391936-61-1
• 化学式: C₂₀H₂₉N₃O₂
• 分子量: 343.469
• InChiKey: VTMCNGMNFBAFFD-UHFFFAOYSA-N

物化性质

• 沸点：
  471.6±55.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  53.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-dipropylamino-2-(2-methoxy-4,6-dimethyl-phenyl)-6-methyl-3H-pyrimidin-4-one 在 三氯氧磷 作用下， 以77%的产率得到4-chloro-2-(2-methoxy-4,6-dimethylphenyl)-6-methyl-N,N-dipropylpyrimidin-5-amine
  参考文献：
  名称：

  2-Arylpyrimidines: Novel CRF-1 receptor antagonists

  摘要：

  The design, synthesis and structure-activity relationship studies of a novel series of CRF-1 receptor antagonists, the 2-arylpyrimidines, are described. The effects of substitution on the aromatic ring and the pyrimidine core on CRF-1 receptor binding were investigated. A number of compounds with K-i values below 10 nM and lipophilicity in a minimally acceptable range for a CNS drug (cLogP < 5) were discovered. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.063
• 作为产物：
  描述：

  [4-methoxy-2-(2-methoxy-4,6-dimethyl-phenyl)-6-methyl-pyrimidin-5-yl]-dipropylamine 在 氨 作用下， 以 concentrated aqueous hydrochloric acid 、 乙酸乙酯 为溶剂， 生成 5-dipropylamino-2-(2-methoxy-4,6-dimethyl-phenyl)-6-methyl-3H-pyrimidin-4-one
  参考文献：
  名称：

  5-Substituted 2-aryl-4-pyrimidinones

  摘要：

  提供了作为选择性CRF 1受体调节剂的芳基嘧啶酮化合物。这些化合物在治疗许多中枢神经系统和周围疾病方面有用，特别是压力、焦虑、抑郁、心血管疾病和进食障碍。还提供了治疗这些疾病的方法以及包装的药物组合物。本发明的化合物还可用作CRF受体定位的探针以及CRF受体结合测定中的标准。给出了使用这些化合物进行受体定位研究的方法。

  公开号：

  US20020052387A1

文献信息

• 5-Substituted 2-aryl-4-pyrimidinones
  申请人：——

  公开号：US20020052387A1

  公开（公告）日：2002-05-02

  Arylpyrimidinone compounds that act as selective modulators of CRF 1 receptors are provided. These compounds are useful in the treatment of a number of CNS and periphereal disorders, particularly stress, anxiety, depression, cardiovascular disorders, and eating disorders. Methods of treatment of such disorders and well as packaged pharmaceutical compositions are also provided. Compounds of the invention are also useful as probes for the localization of CRF receptors and as standards in assays for CRF receptor binding. Methods of using the compounds in receptor localization studies are given.

  提供了作为选择性CRF 1受体调节剂的芳基嘧啶酮化合物。这些化合物在治疗许多中枢神经系统和周围疾病方面有用，特别是压力、焦虑、抑郁、心血管疾病和进食障碍。还提供了治疗这些疾病的方法以及包装的药物组合物。本发明的化合物还可用作CRF受体定位的探针以及CRF受体结合测定中的标准。给出了使用这些化合物进行受体定位研究的方法。
• 5-Substituted 2-aryl-4 pyrimidinones
  申请人：Hodgetts J. Kevin

  公开号：US20050234051A1

  公开（公告）日：2005-10-20

  Arylpyrimidinone compounds that act as selective modulators of CRF 1 receptors are provided. These compounds are useful in the treatment of a number of CNS and periphereal disorders, particularly stress, anxiety, depression, cardiovascular disorders, and eating disorders. Methods of treatment of such disorders and well as packaged pharmaceutical compositions are also provided. Compounds of the invention are also useful as probes for the localization of CRF receptors and as standards in assays for CRF receptor binding. Methods of using the compounds in receptor localization studies are given.

  本研究提供了可作为 CRF 1 受体选择性调节剂的芳基嘧啶酮化合物。这些化合物可用于治疗多种中枢神经系统和周身疾病，尤其是压力、焦虑、抑郁、心血管疾病和饮食失调。本发明还提供了治疗此类疾病的方法以及包装药物组合物。本发明的化合物还可用作 CRF 受体定位的探针和 CRF 受体结合测定的标准。还给出了在受体定位研究中使用本发明化合物的方法。
• 2-Aryl-3,6-dialkyl-5-dialkylaminopyrimidin-4-ones as novel crf-1 receptor antagonists
  作者：Kevin J. Hodgetts、Taeyoung Yoon、Jianhua Huang、Michael Gulianello、Andrzej Kieltyka、Renee Primus、Robbin Brodbeck、Stéphane De Lombaert、Darı́o Doller

  DOI：10.1016/s0960-894x(03)00483-9

  日期：2003.8

  The discovery, synthesis and structure-activity studies of a novel series of 2-arylpyrimidin-4-ones as CRF-1 receptor antagonists is described. These compounds are structurally simple and display appropriate physical properties for CNS agents (C) 2003 Elsevier Ltd. All rights reserved.
• 5-SUBSTITUTED 2-ARYL-4-PYRIMIDINONES
  申请人：NEUROGEN CORPORATION

  公开号：EP1301490A2

  公开（公告）日：2003-04-16
• US6943173B2
  申请人：——

  公开号：US6943173B2

  公开（公告）日：2005-09-13