4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-(pyridin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide | 1310064-11-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-(pyridin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
• 英文别名: 4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• CAS: 1310064-11-9
• 化学式: C₂₈H₂₆ClN₅O
• 分子量: 484.0
• InChiKey: WDXYFNVYBQWTCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  71
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  盐酸-4-哌啶酮-3-羧酸乙酯 在 4-二甲氨基吡啶 、 potassium phosphate 、 palladium diacetate 、 potassium carbonate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 生成 4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-(pyridin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
  参考文献：
  名称：

  Synthesis and SAR of pyrimidine-based, non-nucleotide P2Y14 receptor antagonists

  摘要：

  A weak antagonist of the pyrimidinergic receptor P2Y(14) containing a dihydropyridopyrimidine core was identified through high-throughput screening. Subsequent optimization led to potent, non-UTP competitive antagonists and represent the first reported non-nucleotide antagonists of this receptor. Compound 18q was identified as a 10 nM P2Y(14) antagonist with good oral bioavailability and provided sufficient exposure in mice to be used as a tool for future in vivo studies. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.084

文献信息

• Synthesis and SAR of pyrimidine-based, non-nucleotide P2Y14 receptor antagonists
  作者：Daniel Guay、Christian Beaulieu、Michel Belley、Sheldon N. Crane、Jeancarlo DeLuca、Yves Gareau、Martine Hamel、Martin Henault、Huda Hyjazie、Stacia Kargman、Chi Chung Chan、Lijing Xu、Robert Gordon、Lianhai Li、Yael Mamane、Nicolas Morin、Joseph Mancini、Michel Thérien、Geoffrey Tranmer、Vouy Linh Truong、Zhaoyin Wang、W. Cameron Black

  DOI：10.1016/j.bmcl.2011.03.084

  日期：2011.5

  A weak antagonist of the pyrimidinergic receptor P2Y(14) containing a dihydropyridopyrimidine core was identified through high-throughput screening. Subsequent optimization led to potent, non-UTP competitive antagonists and represent the first reported non-nucleotide antagonists of this receptor. Compound 18q was identified as a 10 nM P2Y(14) antagonist with good oral bioavailability and provided sufficient exposure in mice to be used as a tool for future in vivo studies. (C) 2011 Elsevier Ltd. All rights reserved.