Phenylcarbonyl piperazine, 3 | 260392-56-1

• 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: Phenylcarbonyl piperazine, 3
• 英文别名: phenyl-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone
• CAS: 260392-56-1
• 化学式: C₁₇H₁₆F₃N₃O
• 分子量: 335.329
• InChiKey: SNZCYYQNLVCJFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  36.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  异氰酸苯酯 、 1-[3-(三氟甲基)吡啶-2-基]哌嗪 以 氯仿 为溶剂， 以82%的产率得到Phenylcarbonyl piperazine, 3
  参考文献：
  名称：

  Discovery and Initial SAR of Arylsulfonylpiperazine Inhibitors of 11β-Hydroxysteroid Dehydrogenase Type 1 (11β-HSD1)

  摘要：

  High-throughput screening of a small-molecule compound library resulted in the identification of a series of arylsulfonylpiperazines that are potent and selective inhibitors of human 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1). Optimization of the initial lead resulted in the discovery of compound (R)-45 (11beta-HSD1 IC(50)=3nM).

  DOI：

  10.1016/j.bmcl.2008.05.025

文献信息

• Discovery and Initial SAR of Arylsulfonylpiperazine Inhibitors of 11β-Hydroxysteroid Dehydrogenase Type 1 (11β-HSD1)
  作者：Daqing Sun、Zhulun Wang、Yongmei Di、Juan C. Jaen、Marc Labelle、Ji Ma、Shichang Miao、Athena Sudom、Liang Tang、Craig S. Tomooka、Hua Tu、Stefania Ursu、Nigel Walker、Xuelei Yan、Qiuping Ye、Jay P. Powers

  DOI：10.1016/j.bmcl.2008.05.025

  日期：2008.6

  High-throughput screening of a small-molecule compound library resulted in the identification of a series of arylsulfonylpiperazines that are potent and selective inhibitors of human 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1). Optimization of the initial lead resulted in the discovery of compound (R)-45 (11beta-HSD1 IC(50)=3nM).