N-(4-methylphenyl)-3,5-diphenyl-1H-pyrazoline-1-carbothioamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(4-methylphenyl)-3,5-diphenyl-1H-pyrazoline-1-carbothioamide
• 英文别名: N-(4-methylphenyl)-3,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide
• 化学式: C₂₃H₂₁N₃S
• 分子量: 371.506
• InChiKey: KWBFOLSMOMTIKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  59.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  苯亚甲基苯乙酮 在 一水合肼 、 三乙胺 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 6.0h， 生成 N-(4-methylphenyl)-3,5-diphenyl-1H-pyrazoline-1-carbothioamide
  参考文献：
  名称：

  Malhotra, Vineet; Pathak, Seema; Nath, Rajendra, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002, vol. 41, # 6, p. 1310 - 1313

  摘要：

  DOI：

文献信息

• Design, Synthesis, and<i>In-Vivo</i>Pharmacological Screening of<i>N</i>,3-(Substituted Diphenyl)-5-phenyl-1<i>H</i>-pyrazoline-1-carbothioamide Derivatives
  作者：Nadeem Siddiqui、Perwaiz Alam、Waquar Ahsan

  DOI：10.1002/ardp.200800130

  日期：2009.3

  Various 3,5‐(substituted diphenyl)‐4,5‐dihydro‐pyrazole‐1‐carbothioic acid phenylamides were synthesized starting from substituted acetophenones. Structures of the compounds were confirmed on the basis of spectral data. The compounds were evaluated for their anticonvulsant and antidepressant activity. Interestingly, out of 26 compounds, four (3f, 3g, 3t, and 3u) were found to protect 100% of the animals

  以取代苯乙酮为原料合成了各种 3,5-(取代二苯基)-4,5-二氢-吡唑-1-碳硫酸苯基酰胺。基于光谱数据确认了化合物的结构。评价化合物的抗惊厥和抗抑郁活性。有趣的是，在 26 种化合物中，发现 4 种（3f、3g、3t 和 3u）在 MES 筛选中以 25 mg/kg 的剂量保护 100% 的动物。还发现它们在 scPTZ 筛选中具有明显的抗惊厥活性。与对照相比，两种化合物 3j 和 3o 在 25 mg/kg 剂量下显着缩短了不动时间的持续时间。
• Syntheses, characterization and in vitro antiamoebic activity of new Pd(II) complexes with 1-N-substituted thiocarbamoyl-3,5-diphenyl-2-pyrazoline derivatives
  作者：Asha Budakoti、Mohammad Abid、Amir Azam

  DOI：10.1016/j.ejmech.2006.10.011

  日期：2007.4

  Reaction of neutral NS bidentate ligands, 1-N-substituted thiocarbamoyl-3,5-diphenyl-2-pyrazolines, isolated by cyclization of chalcone with N-4-substituted thiosemicarbazide of aromatic amines (1-8), with [Pd(DMSO)(2)Cl-2] (DMSO = dimethylsulfoxide) leads to the formation of new complexes of the type [Pd(L)Cl-2] (1a-8a). The structures of the compounds were elucidated by UV, IR, H-1 NMR, C-13 NMR and ESI-MS spectral data and thermogravimetric analysis and their purities were confirmed by elemental analyses. The antiamoebic activity of these complexes was evaluated by microdilution method against HM1:1MSS strain of Entameoba histolytica and the results were compared with the standard drug, metronidazole. Generally palladium complexes showed better activity than their corresponding ligands. Compound 3a showed better IC50 = 0.05 mu M as compared to metronidazole IC50 = 1.82 mu M. (c) 2006 Published by Elsevier Masson SAS.