1-(4-(4-Chloropyridin-2-yl)piperazin-1-yl)-2-(pyridin-4-ylmethoxy)ethanone | 1261171-54-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(4-(4-Chloropyridin-2-yl)piperazin-1-yl)-2-(pyridin-4-ylmethoxy)ethanone
• 英文别名: 1-[4-(4-chloropyridin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone
• CAS: 1261171-54-3
• 化学式: C₁₇H₁₉ClN₄O₂
• 分子量: 346.816
• InChiKey: JATKRVVJPZRGIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  58.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-吡啶甲醇 、 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 生成 1-(4-(4-Chloropyridin-2-yl)piperazin-1-yl)-2-(pyridin-4-ylmethoxy)ethanone
  参考文献：
  名称：

  4-Aryl piperazine and piperidine amides as novel mGluR5 positive allosteric modulators

  摘要：

  Positive allosteric modulation of metabotropic glutamate receptor 5 (mGluR5) is regarded as a potential novel treatment for schizophrenic patients. Herein we report the synthesis and SAR of 4-aryl piperazine and piperidine amides as potent mGluR5 positive allosteric modulators (PAMs). Several analogs have excellent activity and desired drug-like properties. Compound 2b was further characterized as a PAM using several in vitro experiments, and produced robust activity in several preclinical animal models. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.036