N-(6-氨基-1H-苯并咪唑-2-基)-4-氰基苯甲酰胺 | 919763-50-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: N-(6-氨基-1H-苯并咪唑-2-基)-4-氰基苯甲酰胺
• 英文名称: 4-cyano-N-(6-amino-1H-benzimidazol-2-yl)benzamide
• 英文别名: N-(6-Amino-1H-benzimidazol-2-yl)-4-cyanobenzamide；N-(6-amino-1H-benzimidazol-2-yl)-4-cyanobenzamide
• CAS: 919763-50-1
• 化学式: C₁₅H₁₁N₅O
• 分子量: 277.285
• InChiKey: QECLQZKYTWKKHG-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C(Solv: methanol (67-56-1))
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-硝基邻苯二胺 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 甲醇 、 甲苯 、 乙腈 为溶剂， 生成 N-(6-氨基-1H-苯并咪唑-2-基)-4-氰基苯甲酰胺
  参考文献：
  名称：

  Synthesis, Crystal Structure Determination and Antiproliferative Evaluation of Novel Benzazoyl Benzamides

  摘要：

  A series of benzazoyl-benzamides containing different substituents (7-17) were synthesized by condensation of 2-aminobenzazole derivatives (3a-6) with p-substituted benzoyl chlorides. All compounds were characterized by IR, H-1 and C-13 NMR, MS and elemental analysis. Crystal structure was determined for the compound (9). Some of the new synthesized compounds (7-17) were screened for antitumor activities. Based on presented in vitro screening results we may conclude that compounds (10, 15a, 15b and 16) showed accentuated cell growth inhibitory activity.

  DOI：

  10.3987/com-06-10844

文献信息

• Synthesis, Crystal Structure Determination and Antiproliferative Evaluation of Novel Benzazoyl Benzamides
  作者：Kristina Starcevic、Irena Caleta、Dominik Cincic、Branko Kaitner、Marijeta Kralj、Katja Ester、Grace M. Karminski-Zamola

  DOI：10.3987/com-06-10844

  日期：——

  A series of benzazoyl-benzamides containing different substituents (7-17) were synthesized by condensation of 2-aminobenzazole derivatives (3a-6) with p-substituted benzoyl chlorides. All compounds were characterized by IR, H-1 and C-13 NMR, MS and elemental analysis. Crystal structure was determined for the compound (9). Some of the new synthesized compounds (7-17) were screened for antitumor activities. Based on presented in vitro screening results we may conclude that compounds (10, 15a, 15b and 16) showed accentuated cell growth inhibitory activity.