3,4-dihydro-2H-naphthalen-1-one thiosemicarbazone | 3689-17-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 3,4-dihydro-2H-naphthalen-1-one thiosemicarbazone
• 英文别名: 3,4-Dihydro-2H-naphthalin-1-on-thiosemicarbazon；2-(1,2,3,4-Tetrahydronaphthalen-1-yliden)hydrazine-1-carbothioamide；[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]thiourea
• CAS: 3689-17-6
• 化学式: C₁₁H₁₃N₃S
• 分子量: 219.31
• InChiKey: PRNSUJCXOCSNAQ-RAXLEYEMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  82.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090

反应信息

• 作为产物：
  描述：

  氨基硫脲 、 3,4-二氢-1(2H)-萘酮 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 24.0h， 生成 3,4-dihydro-2H-naphthalen-1-one thiosemicarbazone
  参考文献：
  名称：

  Evaluation of the semicarbazones, thiosemicarbazones and bis-carbohydrazones of some aryl alicycylic ketones for anticonvulsant and other biological propertie

  摘要：

  A number of aryl alicyclic ketones were converted to their corresponding semicarbazones, thiosemicarbazones and bis-carbohydrazones. Anticonvulsant activity was displayed by most of the compounds in the maximal electroshock (MES) and subcutaneous pentylenetetrazole (scPTZ) screens when given intraperitoneally to mice. However, on oral administration to rats, a marked selective activity in the MES screen only was noted. X-ray crystallography on five semicarbazones was undertaken in order to find correlations between the shapes of these molecules and anticonvulsant properties. The thiosemicarbazones displayed greater cytotoxicity to P388D1 and L1210 cells than the semicarbazones while a number of human tumors and different viruses were, in general, insensitive to representative compounds.

  DOI：

  10.1016/0223-5234(96)88238-9

文献信息

• Momose et al., Pharmaceutical Bulletin, 1954, vol. 2, p. 119,122
  作者：Momose et al.

  DOI：——

  日期：——
• US2741635
  申请人：——

  公开号：——

  公开（公告）日：——
• Evaluation of the semicarbazones, thiosemicarbazones and bis-carbohydrazones of some aryl alicycylic ketones for anticonvulsant and other biological propertie
  作者：JR Dimmock、SN Pandeya、JW Quail、U Pugazhenthi、TM Allen、GY Kao、J Balzarini、E DeClercq

  DOI：10.1016/0223-5234(96)88238-9

  日期：——

  A number of aryl alicyclic ketones were converted to their corresponding semicarbazones, thiosemicarbazones and bis-carbohydrazones. Anticonvulsant activity was displayed by most of the compounds in the maximal electroshock (MES) and subcutaneous pentylenetetrazole (scPTZ) screens when given intraperitoneally to mice. However, on oral administration to rats, a marked selective activity in the MES screen only was noted. X-ray crystallography on five semicarbazones was undertaken in order to find correlations between the shapes of these molecules and anticonvulsant properties. The thiosemicarbazones displayed greater cytotoxicity to P388D1 and L1210 cells than the semicarbazones while a number of human tumors and different viruses were, in general, insensitive to representative compounds.