(5-(4-Chlorophenylamino)pyrazin-2-yl)(piperidin-1-yl)methanone | 1204316-92-6

• 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: (5-(4-Chlorophenylamino)pyrazin-2-yl)(piperidin-1-yl)methanone
• 英文别名: [5-(4-chloroanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
• CAS: 1204316-92-6
• 化学式: C₁₆H₁₇ClN₄O
• 分子量: 316.79
• InChiKey: GOYWCJLRVTYWSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  58.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  C₁₀H₁₂ClN₃O 、 对氯苯胺 在 溶剂黄146 作用下， 以 水 为溶剂， 反应 18.0h， 生成 (5-(4-Chlorophenylamino)pyrazin-2-yl)(piperidin-1-yl)methanone
  参考文献：
  名称：

  Piperidyl amides as novel, potent and orally active mGlu5 receptor antagonists with anxiolytic-like activity

  摘要：

  High throughput screening led to the identification of nicotinamide derivative 2 as a structurally novel mGluR5 antagonist. Optimization of the modular scaffold led to the discovery of 16m, a compound with high affinity for mGluR5 and excellent selectivity over other glutamate receptors. Compound 16m exhibits a favorable PK profile in rats, robust anxiolytic-like effects in three different animal models of fear and anxiety, as well as a good PK/PD correlation. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.001