[2-(2,4,6-trimethylphenyl)-4-methoxy-6-methyl pyrimidin-5-yl]dipropylamine | 360577-05-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [2-(2,4,6-trimethylphenyl)-4-methoxy-6-methyl pyrimidin-5-yl]dipropylamine
• 英文别名: 2-mesityl-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine；4-methoxy-6-methyl-N,N-dipropyl-2-(2,4,6-trimethylphenyl)pyrimidin-5-amine
• CAS: 360577-05-5
• 化学式: C₂₁H₃₁N₃O
• 分子量: 341.497
• InChiKey: SGWCQHAEPZTCEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  38.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [2-(2,4,6-trimethylphenyl)-4-methoxy-6-methyl pyrimidin-5-yl]dipropylamine 在 盐酸 作用下， 生成 5-(dipropylamino)-4-methyl-2-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one
  参考文献：
  名称：

  2-Aryl-3,6-dialkyl-5-dialkylaminopyrimidin-4-ones as novel crf-1 receptor antagonists

  摘要：

  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.

  DOI：

  10.1016/s0960-894x(03)00483-9
• 作为产物：
  描述：

  2,4-二氯-5-硝基-6-甲基嘧啶 在 palladium on activated charcoal 四(三苯基膦)钯 、 氢气 、 三乙酰氧基硼氢化钠 、 碳酸氢钠 、 溶剂黄146 作用下， 以 甲醇 、 1,2-二氯乙烷 、 甲苯 为溶剂， 生成 [2-(2,4,6-trimethylphenyl)-4-methoxy-6-methyl pyrimidin-5-yl]dipropylamine
  参考文献：
  名称：

  2-Aryl-3,6-dialkyl-5-dialkylaminopyrimidin-4-ones as novel crf-1 receptor antagonists

  摘要：

  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.

  DOI：

  10.1016/s0960-894x(03)00483-9

文献信息

• 5-substituted arylpyrimidines
  申请人：——

  公开号：US20020072521A1

  公开（公告）日：2002-06-13

  Arylpyrimidine compounds are provided that can act as selective modulators of CRF receptors. 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.

  提供了可以作为CRF受体选择性调节剂的芳基嘧啶化合物。这些化合物在治疗多种中枢神经系统和外周障碍方面很有用，特别是压力、焦虑、抑郁、心血管障碍和进食障碍。还提供了治疗这些疾病的方法以及包装的药物组合物。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。给出了在受体定位研究中使用这些化合物的方法。
• 2-Arylpyrimidines: Novel CRF-1 receptor antagonists
  作者：Taeyoung Yoon、Stéphane De Lombaert、Robbin Brodbeck、Michael Gulianello、James E. Krause、Alan Hutchison、Raymond F. Horvath、Ping Ge、John Kehne、Diane Hoffman、Jayaraman Chandrasekhar、Darío Doller、Kevin J. Hodgetts

  DOI：10.1016/j.bmcl.2008.07.063

  日期：2008.8

  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.
• 5-SUBSTITUTED ARYLPYRIMIDINES
  申请人：NEUROGEN CORPORATION

  公开号：EP1233949A2

  公开（公告）日：2002-08-28
• [EN] 5-SUBSTITUTED ARYLPYRIMIDINES<br/>[FR] ARYLPYRIMIDINES SUBSTITUEES EN POSITION 5
  申请人：NEUROGEN CORP

  公开号：WO2001068614A2

  公开（公告）日：2001-09-20

  Arylpyrimidine compounds are provided that can act as selective modulators of CRF receptors. These compounds are useful in the treatment of a number of CNS and peripheral 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.
• 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.