3-甲基-N-(1-(丙基磺酰基)-1,2,3,4-四氢喹啉-7-基)苯磺酰胺 | 1021117-32-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 3-甲基-N-(1-(丙基磺酰基)-1,2,3,4-四氢喹啉-7-基)苯磺酰胺
• 英文名称: 3-methyl-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
• 英文别名: 3-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
• CAS: 1021117-32-7
• 化学式: C₁₉H₂₄N₂O₄S₂
• 分子量: 408.543
• InChiKey: SJVTZTTUHBUAJZ-UHFFFAOYSA-N

物化性质

• 沸点：
  586.9±60.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  7-硝基-1,2,3,4-四氢喹啉 在 吡啶 、 一水合肼 作用下， 以 甲醇 为溶剂， 反应 34.51h， 生成 3-甲基-N-(1-(丙基磺酰基)-1,2,3,4-四氢喹啉-7-基)苯磺酰胺
  参考文献：
  名称：

  Facile Synthesis and Preliminary Structure–Activity Analysis of New Sulfonamides Against Trypanosoma brucei

  摘要：

  The high throughput screening of a library of over 87,000 drug-like compounds against the African sleeping sickness parasite resulted in the discovery of hits with a wide range of molecular diversity. We report here the medicinal chemistry development of one such hit, a tetrahydroisoquinoline disulfonamide, with the synthesis and testing of 26 derivatives against the trypanosome subspecies. Activities in the 2-4 mu M range were revealed with a selectivity index suitable for further development.

  DOI：

  10.1021/ml400487t

文献信息

• Facile Synthesis and Preliminary Structure–Activity Analysis of New Sulfonamides Against <i>Trypanosoma brucei</i>
  作者：Adel A. Rashad、Amy J. Jones、Vicky M. Avery、Jonathan Baell、Paul A. Keller

  DOI：10.1021/ml400487t

  日期：2014.5.8

  The high throughput screening of a library of over 87,000 drug-like compounds against the African sleeping sickness parasite resulted in the discovery of hits with a wide range of molecular diversity. We report here the medicinal chemistry development of one such hit, a tetrahydroisoquinoline disulfonamide, with the synthesis and testing of 26 derivatives against the trypanosome subspecies. Activities in the 2-4 mu M range were revealed with a selectivity index suitable for further development.