2-methyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine | 573678-16-7

• 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: 2-methyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
• 英文别名: 2-methyl-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine
• CAS: 573678-16-7
• 化学式: C₂₂H₁₄F₆N₄
• 分子量: 448.37
• InChiKey: SCNBWTRGKZBRIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  对三氟甲基苯胺 、 4-chloro-2-methyl-7-(3-trifluoromethyl-pyridin-2-yl)-quinazoline 在 N,N-二异丙基乙胺 作用下， 以 异丙醇 为溶剂， 反应 6.0h， 生成 2-methyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
  参考文献：
  名称：

  Aminoquinazolines as TRPV1 antagonists: Modulation of drug-like properties through the exploration of 2-position substitution

  摘要：

  A focused SAR exploration of the lead 4-aminoquinazoline TRPV1 antagonist 2 led to the discovery of compound 18. In rats, compound 18 is readily absorbed following oral dosing and demonstrates excellent in vivo potency and efficacy in an acute inflammatory pain model. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.036

文献信息

• Aminoquinazolines as TRPV1 antagonists: Modulation of drug-like properties through the exploration of 2-position substitution
  作者：Charles A. Blum、Xiaozhang Zheng、Harry Brielmann、Kevin J. Hodgetts、Rajagopal Bakthavatchalam、Jayaraman Chandrasekhar、James E. Krause、Daniel Cortright、David Matson、Marci Crandall、Chu K. Ngo、Lawrence Fung、Marta Day、Mark Kershaw、Stéphane De Lombaert、Bertrand L. Chenard

  DOI：10.1016/j.bmcl.2008.07.036

  日期：2008.8

  A focused SAR exploration of the lead 4-aminoquinazoline TRPV1 antagonist 2 led to the discovery of compound 18. In rats, compound 18 is readily absorbed following oral dosing and demonstrates excellent in vivo potency and efficacy in an acute inflammatory pain model. (C) 2008 Elsevier Ltd. All rights reserved.