6-heptenyl isothiocyanate | 49776-82-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 异硫氰酸盐
• 英文名称: 6-heptenyl isothiocyanate
• 英文别名: 6-heptenylisothiocyanate；7-Isothiocyanato-1-heptene；7-isothiocyanatohept-1-ene
• CAS: 49776-82-1
• 化学式: C₈H₁₃NS
• 分子量: 155.264
• InChiKey: WZXOJFDWZWNRLN-UHFFFAOYSA-N

物化性质

• 沸点：
  232.4±19.0 °C(Predicted)
• 密度：
  0.89±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  44.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  甲硫醇 、 6-heptenyl isothiocyanate 在 叔丁基过氧化氢 作用下， 以 甲醇 为溶剂， 反应 9.0h， 以78%的产率得到7-(甲硫基)庚基异硫氰酸酯
  参考文献：
  名称：

  Structure–Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard

  摘要：

  Allyl isothiocyanate (ITC) (4) is the main pungent component in wasabi, and it generates an acrid sensation by activating TRPAL The flavor and pungency of ITCs vary depending on the compound. However, the differences in activity to activate TRPA1 between ITCs are effect of carbon chain length and substituents of ITCs, the not known except for a few compounds. To investigate the TRPA1-activiting ability ITCs was measured. Since most of the ITCs showed nearly equal TRPA1-activiting potency,. the ITC moiety is likely the predominant contributor to their TRPA1-activating abilities, and contributions of other functional groups to their activities to activate TRPA1 are comparatively small.

  DOI：

  10.1021/acs.jnatprod.5b00272
• 作为产物：
  描述：

  7-溴-1-庚烯 在 N,N-二甲基甲酰胺 、 calcium carbonate 、 sodium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 生成 6-heptenyl isothiocyanate
  参考文献：
  名称：

  Structure–Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard

  摘要：

  Allyl isothiocyanate (ITC) (4) is the main pungent component in wasabi, and it generates an acrid sensation by activating TRPAL The flavor and pungency of ITCs vary depending on the compound. However, the differences in activity to activate TRPA1 between ITCs are effect of carbon chain length and substituents of ITCs, the not known except for a few compounds. To investigate the TRPA1-activiting ability ITCs was measured. Since most of the ITCs showed nearly equal TRPA1-activiting potency,. the ITC moiety is likely the predominant contributor to their TRPA1-activating abilities, and contributions of other functional groups to their activities to activate TRPA1 are comparatively small.

  DOI：

  10.1021/acs.jnatprod.5b00272

文献信息

• Neuron activator
  申请人：Kinjirushi Co., Ltd.

  公开号：US11065288B2

  公开（公告）日：2021-07-20

  The present disclosure provides a neuron activator that activates neurons. The neuron activator includes at least one selected from the group consisting of a dopamine production promotor that promotes dopamine production of the neurons, a neuron extension promotor that promotes extension of the neurons, and an amyloid β resistance enhancer that enhances resistance of the neurons against amyloid β. The neuron activator includes 6-methylsulfinylhexyl isothiocyanates or glycosides thereof, and at least one selected from the group consisting of unsaturated fatty acid and polyphenol.

  本公开提供了一种激活神经元的神经元激活剂。神经元激活剂包括至少一种选自由促进神经元产生多巴胺的多巴胺生成促进剂、促进神经元延伸的神经元延伸促进剂和增强神经元对淀粉样β抵抗力的淀粉样β抵抗力增强剂组成的组。
• Structure–Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard
  作者：Yuko Terada、Hideki Masuda、Tatsuo Watanabe

  DOI：10.1021/acs.jnatprod.5b00272

  日期：2015.8.28

  Allyl isothiocyanate (ITC) (4) is the main pungent component in wasabi, and it generates an acrid sensation by activating TRPAL The flavor and pungency of ITCs vary depending on the compound. However, the differences in activity to activate TRPA1 between ITCs are effect of carbon chain length and substituents of ITCs, the not known except for a few compounds. To investigate the TRPA1-activiting ability ITCs was measured. Since most of the ITCs showed nearly equal TRPA1-activiting potency,. the ITC moiety is likely the predominant contributor to their TRPA1-activating abilities, and contributions of other functional groups to their activities to activate TRPA1 are comparatively small.