4-benzoyl-1-(4-(2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl)phenyl)-5-phenyl-N-(5-sulphamoyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxamide | 1290593-32-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 4-benzoyl-1-(4-(2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl)phenyl)-5-phenyl-N-(5-sulphamoyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxamide
• 英文别名: 4-benzoyl-1-(4-(2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl)phenyl)-5-phenyl-N-(5-sulphamoyl-1,3,4-thiadiazol-2-yl)-1h-pyrazole-3-carboxamide；4-benzoyl-1-[4-[2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl]phenyl]-5-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide
• CAS: 1290593-32-6
• 化学式: C₄₀H₂₈N₈O₆S₂
• 分子量: 780.844
• InChiKey: QJYGIZQMHFSKHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  56
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  245
• 氢给体数：
  3
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  4-benzoyl-1-(4-nitrophenyl)-5-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxamide 在 盐酸 、 sodiumsulfide nonahydrate 、 sodium acetate 、 sodium nitrite 作用下， 以 水 为溶剂， 生成 4-benzoyl-1-(4-(2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl)phenyl)-5-phenyl-N-(5-sulphamoyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxamide
  参考文献：
  名称：

  Synthesis of 5-amino-1,3,4-thiadiazole-2-sulphonamide derivatives and their inhibition effects on human carbonic anhydrase isozymes

  摘要：

  In this study, some novel inhibitors were synthesised from the further stage reactions of 4-benzoyl-1-(4-nitrophenyl)-5-phenyl-1H-pyrazole-3-carbonyl chloride with 5-amino-1,3,4-thiadiazole-2-sulphonamide 1 (inhibitor 1). They were characterised by elemental and spectral (

  DOI：

  10.3109/14756366.2010.491795

文献信息

• Synthesis and antiproliferative activities of some pyrazole-sulfonamide derivatives
  作者：Samet Mert、Ayşe Şahin Yağlıoğlu、Ibrahim Demirtas、Rahmi Kasımoğulları

  DOI：10.1007/s00044-013-0721-2

  日期：2014.3

  In this study, a series of pyrazole-sulfonamide derivatives were designed and synthesized from 1-(4-aminophenyl)-4-benzoyl-5-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxamide (1). The newly synthesized sulfonamides were characterized by FT-IR, H-1 NMR, C-13 NMR, and elemental analyses. The compounds were tested for their in vitro antiproliferative activities against HeLa and C6 cell lines. The tests were carried out as dose-dependent assay starting from 5 to 100 mu g/mL. All compounds showed especially cell selective effect against rat brain tumor cells (C6). Some of the tested compounds (3) and (7) showed promising broad spectrum antitumor activity comparable to the activities of the commonly used anticancer drugs, 5-fluorouracil and cisplatin.