| 1220632-38-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• CAS: 1220632-38-1
• 化学式: C₁₄H₁₁F₃N₆
• 分子量: 320.277
• InChiKey: OQMFMHJKKQZTMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.65
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  78.06
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  对三氟甲基苯胺 、 在 溶剂黄146 作用下， 以 水 为溶剂， 反应 3.0h， 以160 mg的产率得到(4-trifluoromethylphenyl)-[7-(3-trifluoromethylpyridin-2-yl)-pyrimido[4,5-d]pyrimidin-4-yl]amine
  参考文献：
  名称：

  Discovery of Novel 6,6-Heterocycles as Transient Receptor Potential Vanilloid (TRPV1) Antagonists

  摘要：

  The transient receptor potential cation channel, subfamily V, member 1 (TRPV1) is a nonselective cation channel that can be activated by a wide range of noxious stimuli, including capsaicin, acid, and heat. Blockade of TRPV1 activation by selective antagonists is under investigation in an attempt to identify novel agents for pain treatment. The design and synthesis of a series of novel TRPV1 antagonists with a variety of different 6,6-heterocyclic cores is described, and an extensive evaluation of the pharmacological and pharmacokinetic properties of a number of these compounds is reported. For example, the 1,8-naphthyridine 52 was characterized as an orally bioavailable and brain penetrant TRPV1 antagonist. In vivo, 52 fully reversed carrageenan-induced thermal hyperalgesia (CITH) in rats and dose-dependently potently reduced complete Freund's adjuvant (CFA) induced chronic inflammatory pain after oral administration.

  DOI：

  10.1021/jm100051g
• 作为产物：
  描述：

  4-amino-2-(3-trifluoromethylpyridin-2-yl)pyrimidine-5-carbonitrile 、 N,N-二甲基甲酰胺二甲基缩醛 反应 1.0h， 生成
  参考文献：
  名称：

  Discovery of Novel 6,6-Heterocycles as Transient Receptor Potential Vanilloid (TRPV1) Antagonists

  摘要：

  The transient receptor potential cation channel, subfamily V, member 1 (TRPV1) is a nonselective cation channel that can be activated by a wide range of noxious stimuli, including capsaicin, acid, and heat. Blockade of TRPV1 activation by selective antagonists is under investigation in an attempt to identify novel agents for pain treatment. The design and synthesis of a series of novel TRPV1 antagonists with a variety of different 6,6-heterocyclic cores is described, and an extensive evaluation of the pharmacological and pharmacokinetic properties of a number of these compounds is reported. For example, the 1,8-naphthyridine 52 was characterized as an orally bioavailable and brain penetrant TRPV1 antagonist. In vivo, 52 fully reversed carrageenan-induced thermal hyperalgesia (CITH) in rats and dose-dependently potently reduced complete Freund's adjuvant (CFA) induced chronic inflammatory pain after oral administration.

  DOI：

  10.1021/jm100051g