N,N'-di-tert-butoxycarbonylethylenediamine-N,N'-di(N''-(7-methylpyridino[3,2-e]pyridine-2-yl)propanamide) | 383882-22-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N,N'-di-tert-butoxycarbonylethylenediamine-N,N'-di(N''-(7-methylpyridino[3,2-e]pyridine-2-yl)propanamide)
• CAS: 383882-22-2
• 化学式: C₃₆H₄₆N₈O₆
• 分子量: 686.811
• InChiKey: AMPFMFBYDHUHLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.02
• 重原子数：
  50.0
• 可旋转键数：
  11.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  168.84
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  N,N'-di-tert-butoxycarbonylethylenediamine-N,N'-di(N''-(7-methylpyridino[3,2-e]pyridine-2-yl)propanamide) 在 盐酸 、 ammonium hydroxide 作用下， 以 氯仿 、 乙酸乙酯 、 水 为溶剂， 反应 2.5h， 以62%的产率得到N-(7-Methyl-[1,8]naphthyridin-2-yl)-3-{2-[2-(7-methyl-[1,8]naphthyridin-2-ylcarbamoyl)-ethylamino]-ethylamino}-propionamide
  参考文献：
  名称：

  Improved selectivity for the binding of naphthyridine dimer to guanine–guanine mismatch

  摘要：

  Naphthyridine dimer composed of two 2-amino-1,8-naphthyridines and a connecting linker strongly binds to guanine-guanine (G-G) mismatch in duplex DNA. In order to improve G-G selectivity for the binding, we have examined structure modification of the linker. A new naphthyridine dimer possessing 3,6-diazaoctanedioic acid linker binds to G-G mismatch with an association constant of 1.18 x 10(7) M-1, which is somewhat weaker than that of the original naphthyridine dimer having a shorter connecting linker. However, the binding of the modified naphthyridine dimer to G-A mismatch was almost negligible as compared to that of the original. This results in a net increase of the selectivity for the binding to G-G mismatch by 4-folds. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00160-2
• 作为产物：
  描述：

  3-(tert-butoxycarbonyl-{2-[tert-butoxycarbonyl-(2-carboxy-ethy)-amino]-ethyl}-amino)-propionic acid 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 N,N'-di-tert-butoxycarbonylethylenediamine-N,N'-di(N''-(7-methylpyridino[3,2-e]pyridine-2-yl)propanamide)
  参考文献：
  名称：

  Improved selectivity for the binding of naphthyridine dimer to guanine–guanine mismatch

  摘要：

  Naphthyridine dimer composed of two 2-amino-1,8-naphthyridines and a connecting linker strongly binds to guanine-guanine (G-G) mismatch in duplex DNA. In order to improve G-G selectivity for the binding, we have examined structure modification of the linker. A new naphthyridine dimer possessing 3,6-diazaoctanedioic acid linker binds to G-G mismatch with an association constant of 1.18 x 10(7) M-1, which is somewhat weaker than that of the original naphthyridine dimer having a shorter connecting linker. However, the binding of the modified naphthyridine dimer to G-A mismatch was almost negligible as compared to that of the original. This results in a net increase of the selectivity for the binding to G-G mismatch by 4-folds. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00160-2