3-(7-(3-(Trifluoromethyl)pyridin-2-yl)-4-(6-(trifluoromethyl)pyridin-3-ylamino)quinazolin-2-yl)propanoic acid | 714956-37-3

• 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: 3-(7-(3-(Trifluoromethyl)pyridin-2-yl)-4-(6-(trifluoromethyl)pyridin-3-ylamino)quinazolin-2-yl)propanoic acid
• 英文别名: 3-[7-[3-(trifluoromethyl)pyridin-2-yl]-4-[[6-(trifluoromethyl)pyridin-3-yl]amino]quinazolin-2-yl]propanoic acid
• CAS: 714956-37-3
• 化学式: C₂₃H₁₅F₆N₅O₂
• 分子量: 507.395
• InChiKey: XUJHWPHTWPTVGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  3-[4-Chloro-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-2-yl]propanoic acid 、 5-氨基-2-三氟甲基吡啶 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 3-(7-(3-(Trifluoromethyl)pyridin-2-yl)-4-(6-(trifluoromethyl)pyridin-3-ylamino)quinazolin-2-yl)propanoic acid
  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

• Carboxylic acid, phosphate or phosphonate substituted quinazolin-4-ylamine analogues as capsaicin receptor modulators
  申请人：Bakthavatchalam Rajagopal

  公开号：US20060089354A1

  公开（公告）日：2006-04-27

  Acid-substituted quinazolin-4-ylamine analogues are provided. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using them to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  本发明提供了酸取代的喹唑啉-4-胺类似物。这些化合物是配体，可用于调节体内或体外特定受体活性，并且在治疗与人类、驯养伴侣动物和家畜动物的病理性受体激活相关的情况中特别有用。提供了制药组合物和使用它们治疗此类疾病的方法，以及使用这样的配体进行受体定位研究的方法。
• US7432275B2
  申请人：——

  公开号：US7432275B2

  公开（公告）日：2008-10-07
• 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.