3-[5-(3-Amino-propyl)-9,9-dimethyl-9H-xanthen-4-yl]-propylamine | 289719-97-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-[5-(3-Amino-propyl)-9,9-dimethyl-9H-xanthen-4-yl]-propylamine
• CAS: 289719-97-7
• 化学式: C₂₁H₂₈N₂O
• 分子量: 324.466
• InChiKey: JXUIAJDXUWOQOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  61.27
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-[5-(3-Amino-propyl)-9,9-dimethyl-9H-xanthen-4-yl]-propylamine 在 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 36.0h， 生成 1-[3-(Dimethylamino)propyl]-3-[3-[5-[3-[3-(dimethylamino)propylcarbamothioylamino]propyl]-9,9-dimethylxanthen-4-yl]propyl]thiourea
  参考文献：
  名称：

  Synthesis and evaluation of 9,9-dimethylxanthene tricyclics against trypanothione reductase, Trypanosoma brucei , Trypanosoma cruzi and Leishmania donovani

  摘要：

  Derivatives of 9,9-dimethylxanthene were synthesised and evaluated against trypanothione reductase (TR) and in vitro against parasitic trypanosomes and leishmania. High in vitro antiparasitic activity was observed for some derivatives with one compound showing high activity against all three parasites (ED50 values of 0.02, 0.48 and 0.32 mu M, for Trypanosoma brucei, Trypanosoma cruzi, and Leishmania donovani, respectively). The lack of correlation between inhibitory activity against TR and ED50 values suggests that TR is not the target. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00154-2
• 作为产物：
  描述：

  9,9-二甲基氧杂蒽 在 palladium on activated charcoal lithium aluminium tetrahydride 、 正丁基锂 、 四甲基乙二胺 、 偶氮二甲酸二异丙酯 、 叠氮磷酸二苯酯 、 氢气 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 59.5h， 生成 3-[5-(3-Amino-propyl)-9,9-dimethyl-9H-xanthen-4-yl]-propylamine
  参考文献：
  名称：

  Synthesis and evaluation of 9,9-dimethylxanthene tricyclics against trypanothione reductase, Trypanosoma brucei , Trypanosoma cruzi and Leishmania donovani

  摘要：

  Derivatives of 9,9-dimethylxanthene were synthesised and evaluated against trypanothione reductase (TR) and in vitro against parasitic trypanosomes and leishmania. High in vitro antiparasitic activity was observed for some derivatives with one compound showing high activity against all three parasites (ED50 values of 0.02, 0.48 and 0.32 mu M, for Trypanosoma brucei, Trypanosoma cruzi, and Leishmania donovani, respectively). The lack of correlation between inhibitory activity against TR and ED50 values suggests that TR is not the target. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00154-2