1-(Anthracen-9-ylmethylideneamino)-3-propan-2-ylthiourea | 481720-01-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1-(Anthracen-9-ylmethylideneamino)-3-propan-2-ylthiourea
• CAS: 481720-01-8
• 化学式: C₁₉H₁₉N₃S
• 分子量: 321.446
• InChiKey: FMTWEQQBZMSZMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  68.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(Anthracen-9-ylmethylideneamino)-3-propan-2-ylthiourea 在 羟胺 作用下， 以 甲醇 为溶剂， 反应 6.71h， 生成 1-(anthracen-9-ylmethylideneamino)-3-hydroxy-2-propan-2-ylguanidine
  参考文献：
  名称：

  Effect of substitution at N″-position of N′-hydroxy-N-amino guanidines on tumor cell growth

  摘要：

  Structural modification of one of our earlier reported lead molecule (ABNM13) has been carried out to study the effect of different substituents at the N ''-position of N-hydroxy-N'-amino guanidines (HAGs) on their anticancer activity. Compounds with electron donating substituents were found to be less active. In contrast, those with electron withdrawing groups were found favorable for anticancer activity. The obtained results provide significant SAR information that may be useful for further drug designing with HAGs. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.06.048
• 作为产物：
  描述：

  methyl N-(anthracen-9-ylmethylideneamino)carbamodithioate 、 异丙胺 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.25h， 以61%的产率得到1-(Anthracen-9-ylmethylideneamino)-3-propan-2-ylthiourea
  参考文献：
  名称：

  Effect of substitution at N″-position of N′-hydroxy-N-amino guanidines on tumor cell growth

  摘要：

  Structural modification of one of our earlier reported lead molecule (ABNM13) has been carried out to study the effect of different substituents at the N ''-position of N-hydroxy-N'-amino guanidines (HAGs) on their anticancer activity. Compounds with electron donating substituents were found to be less active. In contrast, those with electron withdrawing groups were found favorable for anticancer activity. The obtained results provide significant SAR information that may be useful for further drug designing with HAGs. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.06.048

文献信息

• Effect of substitution at N″-position of N′-hydroxy-N-amino guanidines on tumor cell growth
  作者：Arijit Basu、Barij Nayan Sinha、Philipp Saiko、Thomas Szekeres

  DOI：10.1016/j.bmcl.2012.06.048

  日期：2012.8

  Structural modification of one of our earlier reported lead molecule (ABNM13) has been carried out to study the effect of different substituents at the N ''-position of N-hydroxy-N'-amino guanidines (HAGs) on their anticancer activity. Compounds with electron donating substituents were found to be less active. In contrast, those with electron withdrawing groups were found favorable for anticancer activity. The obtained results provide significant SAR information that may be useful for further drug designing with HAGs. (c) 2012 Elsevier Ltd. All rights reserved.