S-3-oxo-3-(4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylamino)propyl ethanethioate | 1370037-54-9

• 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
• 英文名称: S-3-oxo-3-(4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylamino)propyl ethanethioate
• 英文别名: S-[3-oxo-3-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylamino]propyl] ethanethioate
• CAS: 1370037-54-9
• 化学式: C₂₂H₂₉N₃O₂S
• 分子量: 399.557
• InChiKey: ODNHORRQJLFLLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  96.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  S-3-oxo-3-(4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylamino)propyl ethanethioate 在 盐酸 、 水 作用下， 以 甲醇 为溶剂， 反应 12.0h， 以94.2%的产率得到3-mercapto-N-(4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl)propanamide
  参考文献：
  名称：

  Multifunctional Mercapto-tacrine Derivatives for Treatment of Age-Related Neurodegenerative Diseases

  摘要：

  Cooperating mercapto groups with tacrine in a single molecular, novel multifunctional compounds have been designed and synthesized. These mercapto-tacrine derivatives displayed a synergistic pharmacological profile of long-term potentiation enhancement, cholinesterase inhibition, neuroprotection, and less hepatotoxicity, emerging as promising molecules for the therapy of age-related neurodegenerative diseases.

  DOI：

  10.1021/jm300124p
• 作为产物：
  描述：

  3-(乙酰硫代)丙酸 、 9-(4-aminobutylamino)-1,2,3,4-tetrahydroacridine 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.5h， 以58%的产率得到S-3-oxo-3-(4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylamino)propyl ethanethioate
  参考文献：
  名称：

  Multifunctional Mercapto-tacrine Derivatives for Treatment of Age-Related Neurodegenerative Diseases

  摘要：

  Cooperating mercapto groups with tacrine in a single molecular, novel multifunctional compounds have been designed and synthesized. These mercapto-tacrine derivatives displayed a synergistic pharmacological profile of long-term potentiation enhancement, cholinesterase inhibition, neuroprotection, and less hepatotoxicity, emerging as promising molecules for the therapy of age-related neurodegenerative diseases.

  DOI：

  10.1021/jm300124p

文献信息

• Multifunctional Mercapto-tacrine Derivatives for Treatment of Age-Related Neurodegenerative Diseases
  作者：Yue Wang、Xin-Lei Guan、Peng-Fei Wu、Can-Ming Wang、Hui Cao、Lei Li、Xiao-Juan Guo、Fang Wang、Na Xie、Feng-Chao Jiang、Jian-Guo Chen

  DOI：10.1021/jm300124p

  日期：2012.4.12

  Cooperating mercapto groups with tacrine in a single molecular, novel multifunctional compounds have been designed and synthesized. These mercapto-tacrine derivatives displayed a synergistic pharmacological profile of long-term potentiation enhancement, cholinesterase inhibition, neuroprotection, and less hepatotoxicity, emerging as promising molecules for the therapy of age-related neurodegenerative diseases.