N'-(2-benzylthio-4-chloro-5-methylbenzenesulfonyl)-3,5-diphenyl-1H-pyrazole-1-amidine | 1318989-08-0

• 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'-(2-benzylthio-4-chloro-5-methylbenzenesulfonyl)-3,5-diphenyl-1H-pyrazole-1-amidine
• 英文别名: N'-(2-benzylsulfanyl-4-chloro-5-methylphenyl)sulfonyl-3,5-diphenylpyrazole-1-carboximidamide
• CAS: 1318989-08-0
• 化学式: C₃₀H₂₅ClN₄O₂S₂
• 分子量: 573.139
• InChiKey: KIPOSQYLUADTBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  124
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-(2-benzylthio-4-chloro-5-methylbenzenesulfonyl)cyanamide potassium salt 在 盐酸肼 、 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 生成 N'-(2-benzylthio-4-chloro-5-methylbenzenesulfonyl)-3,5-diphenyl-1H-pyrazole-1-amidine
  参考文献：
  名称：

  Synthesis and Antitumor Activity of Novel N’-(2-Benzylthiobenzenesulfonyl)-1H-pyrazole-1-amidine Derivatives

  摘要：

  A series of N'-(2-benzylthio-4-chlorobenzenesulfonyl)-1H-pyrazole-1-amidines (23-36) were synthesized by the reaction of 3-amino-2-(benzenesulfonyl)guanidines (18-22) with adequate 1,3-diketones. The compounds 23, 24, 26, 30, 31, 34 and 35 were tested in vitro in the full NCI 60 cell panel. The most potent compound in the series (26) showed substantial activity toward some cell lines of leukemia and cancer cells of lung, colon, CNS, melanoma, renal, prostate and breast (GI(50) in the range 2.30-9.47 mu M).

  DOI：

  10.3987/com-11-12164

文献信息

• Synthesis and Antitumor Activity of Novel N’-(2-Benzylthiobenzenesulfonyl)-1H-pyrazole-1-amidine Derivatives
  作者：Jarosław Sławiński、Kamil Brożewicz、Andrzej Fruziński、Marek L. Główka

  DOI：10.3987/com-11-12164

  日期：——

  A series of N'-(2-benzylthio-4-chlorobenzenesulfonyl)-1H-pyrazole-1-amidines (23-36) were synthesized by the reaction of 3-amino-2-(benzenesulfonyl)guanidines (18-22) with adequate 1,3-diketones. The compounds 23, 24, 26, 30, 31, 34 and 35 were tested in vitro in the full NCI 60 cell panel. The most potent compound in the series (26) showed substantial activity toward some cell lines of leukemia and cancer cells of lung, colon, CNS, melanoma, renal, prostate and breast (GI(50) in the range 2.30-9.47 mu M).