4-((4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)sulfonyl)benzonitrile | 1043476-12-5

• 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: 4-((4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)sulfonyl)benzonitrile
• 英文别名: Arylsulfonylpiperazine, 16；4-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylbenzonitrile
• CAS: 1043476-12-5
• 化学式: C₁₇H₁₅F₃N₄O₂S
• 分子量: 396.393
• InChiKey: OULXRFUMARETNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  85.7
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4-((4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)sulfonyl)benzonitrile 在 氨 、 氢气 作用下， 以 甲醇 为溶剂， 生成 (4-((4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)sulfonyl)phenyl)methanamine
  参考文献：
  名称：

  PROTEOLYSIS-TARGETING CHIMERA (PROTAC) COMPOUNDS AND USES THEREOF FIELD

  摘要：

  The present disclosure relates generally to PROTAC (proteolysis-targeting chimera) compounds, pharmaceutical compositions comprising such compounds, and methods of treating various diseases and conditions with such compounds.

  公开号：

  WO2024165050A1
• 作为产物：
  描述：

  2-氟-3-三氟甲基吡啶 在 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 6.0h， 生成 4-((4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)sulfonyl)benzonitrile
  参考文献：
  名称：

  PROTEOLYSIS-TARGETING CHIMERA (PROTAC) COMPOUNDS AND USES THEREOF FIELD

  摘要：

  The present disclosure relates generally to PROTAC (proteolysis-targeting chimera) compounds, pharmaceutical compositions comprising such compounds, and methods of treating various diseases and conditions with such compounds.

  公开号：

  WO2024165050A1

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).
• PROTEOLYSIS-TARGETING CHIMERA (PROTAC) COMPOUNDS AND USES THEREOF FIELD
  申请人：[en]AUBRAK THERAPEUTICS

  公开号：WO2024165050A1

  公开（公告）日：2024-08-15

  The present disclosure relates generally to PROTAC (proteolysis-targeting chimera) compounds, pharmaceutical compositions comprising such compounds, and methods of treating various diseases and conditions with such compounds.