tert-butyl N-[1-[6-(3-chloropyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate | 913277-42-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl N-[1-[6-(3-chloropyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate
• CAS: 913277-42-6
• 化学式: C₂₆H₂₇ClF₃N₅O₂
• 分子量: 533.981
• InChiKey: AOTJADNEVQHWMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  80.2
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[1-[6-(3-chloropyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 1-[6-(3-Chloropyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-amine
  参考文献：
  名称：

  Aminopyrazine CB1 receptor inverse agonists

  摘要：

  A series of 5,6-diaryl-2-amino-pyrazines were prepared and found to have antagonist-like properties at the CB1 receptor. Subsequent SAR studies optimized both receptor potency and drug-like properties including solubility and Cytochrome-P450 inhibition potential. Optimized compounds were demonstrated to be inverse agonists and compared in vivo with rimonabant for their ability to inhibit food intake, to occupy central CB1 receptors and to influence hormonal markers associated with obesity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.022
• 作为产物：
  描述：

  5-chloro-3-(3-chloro-pyridin-4-yl)-2-(4-trifluoromethyl-phenyl)-pyrazine 、 4-叔丁氧羰基氨基哌啶 在 potassium fluoride 、 2,4-滴二甲胺盐 作用下， 以 二甲基亚砜 为溶剂， 以85%的产率得到tert-butyl N-[1-[6-(3-chloropyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate
  参考文献：
  名称：

  Aminopyrazine CB1 receptor inverse agonists

  摘要：

  A series of 5,6-diaryl-2-amino-pyrazines were prepared and found to have antagonist-like properties at the CB1 receptor. Subsequent SAR studies optimized both receptor potency and drug-like properties including solubility and Cytochrome-P450 inhibition potential. Optimized compounds were demonstrated to be inverse agonists and compared in vivo with rimonabant for their ability to inhibit food intake, to occupy central CB1 receptors and to influence hormonal markers associated with obesity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.022