tert-butyl N-[3-(9-acridinylamino)propyl]carbamate | 686278-74-0

• 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: tert-butyl N-[3-(9-acridinylamino)propyl]carbamate
• 英文别名: tert-butyl N-[3-(acridin-9-ylamino)propyl]carbamate
• CAS: 686278-74-0
• 化学式: C₂₁H₂₅N₃O₂
• 分子量: 351.448
• InChiKey: WRTAKZSEGAIMBZ-UHFFFAOYSA-N

物化性质

• 沸点：
  560.9±35.0 °C(Predicted)
• 密度：
  1.178±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  63.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[3-(9-acridinylamino)propyl]carbamate 在 N-甲基吗啉 、 盐酸 、 氯甲酸异丁酯 作用下， 以 甲醇 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 35.0h， 生成 ethyl 2-((2-{[3-(9-acridinylamino)propyl]amino}-2-oxoethyl){2-[di-(2-ethoxy-2-oxoethyl)amino]ethyl}amino) acetate
  参考文献：
  名称：

  Synthesis of pathogen inactivating nucleic acid intercalators

  摘要：

  A series of antiviral compounds consisting of an intercalating acridine derived part, a spacer region and a reactive EDTA-derived conjugate was synthesized in an easy sequence starting from 1,omega-alkyldiamines. As shown in model screenings, in the presence of ascorbic acid the Fe-complexes of these compounds reduced the phage-titer of MS2-phages by several logarithmic decades. (C) 2004 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2004.07.011
• 作为产物：
  描述：

  9-氯吖啶 、 N-叔丁氧羰基-1,3-丙二胺 在 苯酚 作用下， 反应 1.0h， 以95.5%的产率得到tert-butyl N-[3-(9-acridinylamino)propyl]carbamate
  参考文献：
  名称：

  Synthesis of pathogen inactivating nucleic acid intercalators

  摘要：

  A series of antiviral compounds consisting of an intercalating acridine derived part, a spacer region and a reactive EDTA-derived conjugate was synthesized in an easy sequence starting from 1,omega-alkyldiamines. As shown in model screenings, in the presence of ascorbic acid the Fe-complexes of these compounds reduced the phage-titer of MS2-phages by several logarithmic decades. (C) 2004 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2004.07.011

文献信息

• Synthesis of pathogen inactivating nucleic acid intercalators
  作者：René Csuk、Alexander Barthel、Thorsten Brezesinski、Christian Raschke

  DOI：10.1016/j.ejmech.2004.07.011

  日期：2004.11

  A series of antiviral compounds consisting of an intercalating acridine derived part, a spacer region and a reactive EDTA-derived conjugate was synthesized in an easy sequence starting from 1,omega-alkyldiamines. As shown in model screenings, in the presence of ascorbic acid the Fe-complexes of these compounds reduced the phage-titer of MS2-phages by several logarithmic decades. (C) 2004 Elsevier SAS. All rights reserved.