7-(甲硫基)庚基异硫氰酸酯 | 4430-38-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 异硫氰酸盐
• 中文名称: 7-(甲硫基)庚基异硫氰酸酯
• 英文名称: 7-(methylthio)heptyl isothiocyanate
• 英文别名: 7-methylthioheptyl isothiocyanate；7-methylsulfanyl-heptyl isothiocyanate；7-Methylmercapto-heptylisothiocyanat；1-Isothiocyanato-7-(methylthio)heptane；1-isothiocyanato-7-methylsulfanylheptane
• CAS: 4430-38-0
• 化学式: C₉H₁₇NS₂
• 分子量: 203.373
• InChiKey: LDIRGNDMTOGVRB-UHFFFAOYSA-N

物化性质

• 沸点：
  117 °C(Press: 0.3 Torr)
• 密度：
  0.99±0.1 g/cm3(Predicted)
• 保留指数：
  1773.2

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  12
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  69.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  7-(甲硫基)庚基异硫氰酸酯 在 甲醇 、 氨 作用下， 生成 (7-methylsulfanyl-heptyl)-thiourea
  参考文献：
  名称：

  Kjaer; Christensen, Acta Chemica Scandinavica (1947), 1957, vol. 11, p. 1298,1300,1305

  摘要：

  DOI：
• 作为产物：
  描述：

  7-溴-1-庚烯 在 叔丁基过氧化氢 、 N,N-二甲基甲酰胺 、 calcium carbonate 、 sodium iodide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.5h， 生成 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

文献信息

• Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof
  申请人：vTv Therapeutics LLC

  公开号：US10172840B2

  公开（公告）日：2019-01-08

  The disclosure provides pharmaceutical compositions comprising Bach1 Inhibitors and Nrf2 Activators. The disclosure also provides methods of treating diseases such as psoriasis, multiple sclerosis, and COPD comprising administering a Bach1 Inhibitor and a Nrf2 Activator to a subject in need thereof.

  本公开提供了包含 Bach1 抑制剂和 Nrf2 激活剂的药物组合物。本公开还提供了治疗牛皮癣、多发性硬化症和慢性阻塞性肺病等疾病的方法，包括向有需要的受试者施用 Bach1 抑制剂和 Nrf2 激活剂。
• Pharmaceutical compositions comprising glitazones and NRF2 activators
  申请人：Kahrs Bjoern Colin

  公开号：US10426763B2

  公开（公告）日：2019-10-01

  The invention relates to pharmaceutical compositions comprising PPAR agonists and Nrf2 activators and methods of using combinations of PPAR agonists and Nrf2 activators for treating diseases such as psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, and arthritis.

  本发明涉及包含 PPAR 激动剂和 Nrf2 激活剂的药物组合物，以及使用 PPAR 激动剂和 Nrf2 激活剂组合物治疗牛皮癣、哮喘、多发性硬化症、炎症性肠病和关节炎等疾病的方法。
• Inhibitor of muscle damage or muscle fatigue
  申请人：PRODUCTIVE AGING LABORATORY, CO., LTD.

  公开号：US10471038B2

  公开（公告）日：2019-11-12

  The present invention relates to a calpain activation inhibitor, muscle damage inhibitor, muscle endurance improver or muscle fatigue recovery agent containing an ω-methylsulfinylalkyl isothiocyanate or physiologically acceptable salt thereof as an active ingredient, foods or beverages, pharmaceuticals or cosmetics containing the same, a pharmaceutical for the prophylaxis and/or treatment of diseases related to muscle damage or diseases related to reduced muscle mass caused by aging, and a method for the use thereof.

  本发明涉及一种含有ω-甲基亚磺酰基烷基异硫氰酸酯或其生理学上可接受的盐作为活性成分的钙蛋白酶活化抑制剂、肌肉损伤抑制剂、肌肉耐力改善剂或肌肉疲劳恢复剂，含有该活性成分的食品或饮料、药品或化妆品，一种用于预防和/或治疗与肌肉损伤有关的疾病或与衰老引起的肌肉质量下降有关的疾病的药品，以及使用该活性成分的方法。
• Method for treating chronic fatigue syndrome, idiopathic chronic fatigue, and fibromyalgia
  申请人：PRODUCTIVE AGING LABORATORY, CO., LTD.

  公开号：US10925304B2

  公开（公告）日：2021-02-23

  The present invention can provide: a prophylactic or ameliorating/therapeutic agent for chronic fatigue syndrome, idiopathic chronic fatigue and fibromyalgia, which contains a processed product of Japanese horseradish (wasabi) as an active ingredient; a food, a beverage, a medicine or a cosmetic, and a medicine for preventing or ameliorating/treating diseases relating to chronic fatigue syndrome, idiopathic chronic fatigue and fibromyalgia, each of which contains the processed product of wasabi; and methods for using these products.

  本发明可提供一种慢性疲劳综合征、特发性慢性疲劳和纤维肌痛的预防或改善/治疗剂，其中含有作为活性成分的日本辣根（山葵）加工品；一种食品、饮料、药品或化妆品，以及一种用于预防或改善/治疗与慢性疲劳综合征、特发性慢性疲劳和纤维肌痛有关的疾病的药品，其中每一种都含有山葵加工品；以及使用这些产品的方法。
• 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。