4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methyl-N-propylpyrimidin-5-amine | 360576-76-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methyl-N-propylpyrimidin-5-amine
• CAS: 360576-76-7
• 化学式: C₁₈H₂₅N₃O₂
• 分子量: 315.415
• InChiKey: GFAHRZRGKSGMME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  56.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  正丙胺 、 5-iodo-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三叔丁基膦 作用下， 以 甲苯 为溶剂， 生成 4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methyl-N-propylpyrimidin-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

文献信息

• 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-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.