6-chloro-N-(3-chlorophenethyl)quinazolin-4-amine | 1202228-05-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 6-chloro-N-(3-chlorophenethyl)quinazolin-4-amine
• 英文别名: 6-chloro-N-[2-(3-chlorophenyl)ethyl]quinazolin-4-amine
• CAS: 1202228-05-4
• 化学式: C₁₆H₁₃Cl₂N₃
• 分子量: 318.205
• InChiKey: NBUVLBOGHPGFQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4,6-二氯喹唑啉 、 2-(3-氯苯基)乙胺 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 0.25h， 生成 6-chloro-N-(3-chlorophenethyl)quinazolin-4-amine
  参考文献：
  名称：

  Discovery and SAR of 6-substituted-4-anilinoquinazolines as non-competitive antagonists of mGlu5

  摘要：

  A high-throughput cell-based screen identified a series of 6-substituted-4-anilinoquinazolines as noncompetitive antagonists of metabotropic glutamate receptor 5 (mGlu(5)). This Letter describes the SAR of this series and the profile of selected compounds in selectivity and radioligand binding assays. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.024

文献信息

• Discovery and SAR of 6-substituted-4-anilinoquinazolines as non-competitive antagonists of mGlu5
  作者：Andrew S. Felts、Sam A. Saleh、Uyen Le、Alice L. Rodriguez、C. David Weaver、P. Jeffrey Conn、Craig W. Lindsley、Kyle A. Emmitte

  DOI：10.1016/j.bmcl.2009.10.024

  日期：2009.12

  A high-throughput cell-based screen identified a series of 6-substituted-4-anilinoquinazolines as noncompetitive antagonists of metabotropic glutamate receptor 5 (mGlu(5)). This Letter describes the SAR of this series and the profile of selected compounds in selectivity and radioligand binding assays. (C) 2009 Elsevier Ltd. All rights reserved.