2,6-diamino-9-<3-(4,8-diaza-4,8-di-(tert-butoxycarbonyl)-octanamido)propyl>-9H-purine | 155177-53-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2,6-diamino-9-<3-(4,8-diaza-4,8-di-(tert-butoxycarbonyl)-octanamido)propyl>-9H-purine
• CAS: 155177-53-0
• 化学式: C₂₄H₄₁N₉O₅
• 分子量: 535.647
• InChiKey: FBPTYMUOONZWPL-UHFFFAOYSA-N

物化性质

• 密度：
  1.30±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.04
• 重原子数：
  38.0
• 可旋转键数：
  11.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  192.61
• 氢给体数：
  4.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  2,6-diamino-9-<3-(4,8-diaza-4,8-di-(tert-butoxycarbonyl)-octanamido)propyl>-9H-purine 在 盐酸 作用下， 反应 1.0h， 以90%的产率得到2,6-diamino-9-<3-(4,8-diazaoctanamido)propyl>-9H-purine hydrochloride
  参考文献：
  名称：

  Synthesis of purine-acridine hybrid molecules related to artificial endonucleases

  摘要：

  In the course of a program devoted to the synthesis of artificial endonucleases, we have previously reported a series of hybrid molecules in which a purine is linked to an intercalating drug by a polyamino chain. These molecules recognize and cleave selectively abasic sites in DNA with very high efficiency. In order to get insight into the mechanism of recognition and cleavage, we have prepared a new series of molecules in which the purine is linked to an amino-acridine by an aliphatic chain containing amido or/and amino groups. The key intermediates are alpha-halo-omega-amino polyaza chains which may be of general use as linkers in bioconjugate chemistry.

  DOI：

  10.1016/s0040-4020(01)81810-x
• 作为产物：
  描述：

  3--N-<3-<(tert-butoxy)carbonylamino>propyl>amino>propansaure 在 四丁基碘化铵 、 potassium carbonate 、 三乙胺 、 氯甲酸异丁酯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 2,6-diamino-9-<3-(4,8-diaza-4,8-di-(tert-butoxycarbonyl)-octanamido)propyl>-9H-purine
  参考文献：
  名称：

  Synthesis of purine-acridine hybrid molecules related to artificial endonucleases

  摘要：

  In the course of a program devoted to the synthesis of artificial endonucleases, we have previously reported a series of hybrid molecules in which a purine is linked to an intercalating drug by a polyamino chain. These molecules recognize and cleave selectively abasic sites in DNA with very high efficiency. In order to get insight into the mechanism of recognition and cleavage, we have prepared a new series of molecules in which the purine is linked to an amino-acridine by an aliphatic chain containing amido or/and amino groups. The key intermediates are alpha-halo-omega-amino polyaza chains which may be of general use as linkers in bioconjugate chemistry.

  DOI：

  10.1016/s0040-4020(01)81810-x