2-(sec-butyldisulfanyl)pyridine | 52197-11-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(sec-butyldisulfanyl)pyridine
• 英文别名: 2-[(Butan-2-yl)sulfanyl]pyridine；2-butan-2-ylsulfanylpyridine
• CAS: 52197-11-2
• 化学式: C₉H₁₃NS
• 分子量: 167.275
• InChiKey: DEAIWWVHDZPYMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  38.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (2-Sulfanylidenepyridin-1-yl) 2-methylbutanoate 以 二氯甲烷 为溶剂， 生成 2-(sec-butyldisulfanyl)pyridine
  参考文献：
  名称：

  The invention of radical reactions part XVIII. A convenient solution to the 1-carbon problem (R-CO2H → R-13CO2H)

  摘要：

  DOI：

  10.1016/s0040-4020(01)85980-9

文献信息

• Nakagawa, Iwao; Aki, Koichi; Hata, Tsujiaki, Journal of the Chemical Society. Perkin transactions I, 1983, # 7, p. 1315 - 1318
  作者：Nakagawa, Iwao、Aki, Koichi、Hata, Tsujiaki

  DOI：——

  日期：——
• Selective Inhibition of Extracellular Thioredoxin by Asymmetric Disulfides
  作者：Thomas R. DiRaimondo、Nicholas M. Plugis、Xi Jin、Chaitan Khosla

  DOI：10.1021/jm301775s

  日期：2013.2.14

  Whereas the role of mammalian thioredoxin (Trx) as an intracellular protein cofactor is widely appreciated, its function in the extracellular environment is not well-understood. Only few extracellular targets of Trx-mediated thiol disulfide exchange are known. For example, Trx activates extracellular transglutaminase 2 (TG2) via reduction of an intramolecular disulfide bond. Because hyperactive TG2 is thought to play a role in various diseases, understanding the biological role of utracellular Trx may provide critical insight into the pathogenesis of these disorders. Starting from a clinical-stage asymmetric disulfide lead, we have identified analogs with >100-fold specificity for Trx. Structure-activity relationship and computational docking model analyses have provided insights into the features important for enhancing potency and specificity. The most active compound identified had an IC50 below 0.1 mu M in cell culture and may be appropriate for in vivo use to interrogate the role of extracellular Trx in health and disease.
• [DE] SUBSTITUIERTE ANELLIERTE PYRIMIDINONE UND DIHYDROPYRIMIDINONE<br/>[EN] SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES<br/>[FR] PYRIMIDINONES ET DIHYDROPYRIMIDINONES ANNELÉES SUBSTITUÉES
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2012028578A1

  公开（公告）日：2012-03-08

  Verwendung substituierter anellierter Pyrimidinone und Dihydropyrimidinone der allgemeinen Formel (I) oder deren Salze wobei die Reste der Formel (I) die in der Beschreibung genannten Definitionen aufweisen zur Steigerung der Stresstoleranz in Pflanzen gegenüber abiotischem Stress, sowie zur Stärkung des Pflanzenwachstums und/oder zur Erhöhung des Pflanzenertrags.
• The invention of radical reactions part XVIII. A convenient solution to the 1-carbon problem (R-CO2H → R-13CO2H)
  作者：Deraǩ H.R. Barton、Nubar Ozbalik、Bernard Vacher

  DOI：10.1016/s0040-4020(01)85980-9

  日期：1988.1