tert-butyl (2-(pyridin-2-ylthio)ethyl)carbamate | 906087-91-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: tert-butyl (2-(pyridin-2-ylthio)ethyl)carbamate
• 英文别名: tert-butyl N-(2-pyridin-2-ylsulfanylethyl)carbamate
• CAS: 906087-91-0
• 化学式: C₁₂H₁₈N₂O₂S
• mdl: MFCD24393969
• 分子量: 254.353
• InChiKey: DCHMCPRHLKEXHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl (2-(pyridin-2-ylthio)ethyl)carbamate 在 Oxone 作用下， 以 水 、 丙酮 为溶剂， 生成 tert-butyl (2-(pyridin-2-ylsulfonyl)ethyl)carbamate
  参考文献：
  名称：

  Identification and Characterization of 4-Chloro-N-(2-{[5-trifluoromethyl)-2-pyridyl]sulfonyl}ethyl)benzamide (GSK3787), a Selective and Irreversible Peroxisome Proliferator-Activated Receptor δ (PPARδ) Antagonist

  摘要：

  4-Chloro-N-(2-{[5-trifluoromethyl)-2-pyridyl]sulfonyl}ethyl)benzamide 3 (GSK3787) was identified as a potent and selective ligand for PPAR delta wish good pharmacokinetic properties. A detailed binding study using mass spectral analysis confirmed covalent binding to Cys249 within the PPAR delta binding pocket. Gene expression studies showed that pyridylsulfone 3 antagonized the transcriptional activity of PPAR delta and inhibited basal CPT1a gene transcription. Compound 3 is a PPAR delta antagonist with utility as it tool to elucidate PPAR delta cell biology and pharmacology.

  DOI：

  10.1021/jm900464j
• 作为产物：
  描述：

  2-巯基吡啶 、 N-Boc-溴乙胺 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 tert-butyl (2-(pyridin-2-ylthio)ethyl)carbamate
  参考文献：
  名称：

  Identification and Characterization of 4-Chloro-N-(2-{[5-trifluoromethyl)-2-pyridyl]sulfonyl}ethyl)benzamide (GSK3787), a Selective and Irreversible Peroxisome Proliferator-Activated Receptor δ (PPARδ) Antagonist

  摘要：

  4-Chloro-N-(2-{[5-trifluoromethyl)-2-pyridyl]sulfonyl}ethyl)benzamide 3 (GSK3787) was identified as a potent and selective ligand for PPAR delta wish good pharmacokinetic properties. A detailed binding study using mass spectral analysis confirmed covalent binding to Cys249 within the PPAR delta binding pocket. Gene expression studies showed that pyridylsulfone 3 antagonized the transcriptional activity of PPAR delta and inhibited basal CPT1a gene transcription. Compound 3 is a PPAR delta antagonist with utility as it tool to elucidate PPAR delta cell biology and pharmacology.

  DOI：

  10.1021/jm900464j

文献信息

• Pyrazole Compound
  申请人：Tsukamoto Tetsuya

  公开号：US20090156582A1

  公开（公告）日：2009-06-18

  The present invention provides a pyrazole compound represented by the formula (I): wherein ring A 0 is a pyrazole ring optionally further having 1 or 2 substituents; R a is a substituted carbamoyl group; and R b is an optionally substituted acylamino group, or a salt thereof or a prodrug thereof, which is useful as an agent for the prophylaxis or treatment of GSK-3β related pathology or disease, and a GSK-3β inhibitor including same.

  本发明提供了一种由以下式（I）表示的吡唑化合物： 其中环A0是一个吡唑环，可选择地进一步具有1或2个取代基；Ra是一个取代的氨基甲酰基团；Rb是一个可选择地取代的酰胺基团，或其盐或前药，用作预防或治疗与GSK-3β相关的病理或疾病的药剂，以及包括其在内的GSK-3β抑制剂。