ethyl 2-((2-{[12-(9-acridinylamino)dodecyl]amino}-2-oxoethyl){2-[di-(2-ethoxy-2-oxoethyl)amino]ethyl}amino) acetate | 811800-94-9

• 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: ethyl 2-((2-{[12-(9-acridinylamino)dodecyl]amino}-2-oxoethyl){2-[di-(2-ethoxy-2-oxoethyl)amino]ethyl}amino) acetate
• 英文别名: Ethyl 2-[[2-[12-(acridin-9-ylamino)dodecylamino]-2-oxoethyl]-[2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl]amino]acetate
• CAS: 811800-94-9
• 化学式: C₄₁H₆₁N₅O₇
• 分子量: 735.965
• InChiKey: OPQWLCRJOJBETA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  53
• 可旋转键数：
  31
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  ethyl 2-((2-{[12-(9-acridinylamino)dodecyl]amino}-2-oxoethyl){2-[di-(2-ethoxy-2-oxoethyl)amino]ethyl}amino) acetate 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 12.0h， 以81%的产率得到2-[{2-[(2-{[12-(9-acridinylamino)dodecyl]amino}-2-oxoethyl)(carboxymethyl)-amino]ethyl}(carboxymethyl)amino] acetic acid
  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：

  乙二胺四乙酸 在 N-甲基吗啉 、 potassium dihydrogenphosphate 、 pig liver esterase 、 硫酸 、 camphor-10-sulfonic acid 、 氯甲酸异丁酯 作用下， 以 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 39.0h， 生成 ethyl 2-((2-{[12-(9-acridinylamino)dodecyl]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

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.