4-ethyl-1-(1-(1,2,3,4-tetrahydronaphthalen-6-yl)ethylidene)thiosemicarbazide | 1562101-49-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 4-ethyl-1-(1-(1,2,3,4-tetrahydronaphthalen-6-yl)ethylidene)thiosemicarbazide
• CAS: 1562101-49-8
• 化学式: C₁₅H₂₁N₃S
• 分子量: 275.418
• InChiKey: JOLHQPDTYUOLMT-UHFFFAOYSA-N

物化性质

• 熔点：
  107-108 °C
• 沸点：
  401.6±55.0 °C(predicted)
• 密度：
  1.15±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.77
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  36.42
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-ethyl-1-(1-(1,2,3,4-tetrahydronaphthalen-6-yl)ethylidene)thiosemicarbazide 在 哌啶 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 2-(2-(1-(1,2,3,4-tetrahydronaphthalen-6-yl)ethylidene)hydrazono)-5-(4-methoxybenzylidene)-3-ethylthiazolidin-4-one
  参考文献：
  名称：

  Synthesis and evaluation of anti-inflammatory and analgesic activity of some substituted thiazolyl and thaizolidinonyl tetrahydronapthalene derivatives

  摘要：

  A new series of 1,2,3,4-tetrahydronaphthalen-6-yl-thiazole and thiazolidinone derivatives were synthesized. Twenty four of the newly synthesized compounds were evaluated for their anti-inflammatory and analgesic activity. The study exhibited that the derivatives 7b and 11c produced equipotent anti-inflammatory activity to that of the reference drug indomethacin with faster onset of action. Meanwhile, the compounds 1b, 1d, 6, 10c, 12c, 12e exhibited interesting dual anti-inflammatory and analgesic activity. The thiazolo-coumarin derivative 6 could be identified as the most biologically active member within this study with a significant dual anti-inflammatory and analgesic activity in comparison with indomethacin. The study of ulcerogenic effects proved that all of the tested compounds revealed super GIT safety profile in the experimental rats.

  DOI：

  10.1007/s00044-014-0926-z
• 作为产物：
  描述：

  6-乙酰基-1,2,3,4-四氢萘 、 4-乙基-3-硫代氨基脲 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以80%的产率得到4-ethyl-1-(1-(1,2,3,4-tetrahydronaphthalen-6-yl)ethylidene)thiosemicarbazide
  参考文献：
  名称：

  Synthesis and evaluation of anti-inflammatory and analgesic activity of some substituted thiazolyl and thaizolidinonyl tetrahydronapthalene derivatives

  摘要：

  A new series of 1,2,3,4-tetrahydronaphthalen-6-yl-thiazole and thiazolidinone derivatives were synthesized. Twenty four of the newly synthesized compounds were evaluated for their anti-inflammatory and analgesic activity. The study exhibited that the derivatives 7b and 11c produced equipotent anti-inflammatory activity to that of the reference drug indomethacin with faster onset of action. Meanwhile, the compounds 1b, 1d, 6, 10c, 12c, 12e exhibited interesting dual anti-inflammatory and analgesic activity. The thiazolo-coumarin derivative 6 could be identified as the most biologically active member within this study with a significant dual anti-inflammatory and analgesic activity in comparison with indomethacin. The study of ulcerogenic effects proved that all of the tested compounds revealed super GIT safety profile in the experimental rats.

  DOI：

  10.1007/s00044-014-0926-z