4-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[3-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propyl]butanamide | 683227-42-1

• 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: 4-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[3-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propyl]butanamide
• CAS: 683227-42-1
• 化学式: C₃₉H₅₄N₁₀O₇
• 分子量: 774.921
• InChiKey: QKYDFOHEJKMHIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  56
• 可旋转键数：
  26
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  225
• 氢给体数：
  5
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  4-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[3-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propyl]butanamide 在 盐酸 、 三乙胺 作用下， 以 四氢呋喃 、 氯仿 、 乙酸乙酯 为溶剂， 生成 tert-butyl (48-((7-methyl-1,8-naphthyridin-2-yl)amino)-45-(3-((7-methyl-1,8-naphthyridin-2-yl)amino)-3-oxopropyl)-11,23,35,40,48-pentaoxo-3,6,9,15,18,21,27,30,33-nonaoxa-12,24,36,41,45-pentaazaoctatetracontyl)carbamate
  参考文献：
  名称：

  Highly sensitive detection of GG mismatched DNA by surfaces immobilized naphthyridine dimer through poly(ethylene oxide) linkers

  摘要：

  Naphthyridine dimer is a unique molecule that strongly, and selectively, binds to the guanine-guanine mismatch in duplex DNA. We have synthesized naphthyridine dimers possessing a different length of poly(ethylene oxide) (PEO) linker, and immobilized them to CM5 sensor chip to carry out a surface plasmon resonance (SPR) assay of DNA duplexes containing a single base mismatch. The sensitivity of the sensor remarkably increased with increasing numbers of PEO units incorporated into the linker. With the sensor surface immobilized naphthyridine dimer for 1.5 x 10(3) response unit (RU) through three PEO units, the distinct SPR signal was observed at a concentration of 1 nM of the 27-mer G-G mismatch. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.079
• 作为产物：
  描述：

  11-叠氮基-3,6,9-三氧代十一酸 在 palladium on activated charcoal 盐酸 、 sodium hydroxide 、 氢气 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 氯仿 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[3-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propyl]butanamide
  参考文献：
  名称：

  Highly sensitive detection of GG mismatched DNA by surfaces immobilized naphthyridine dimer through poly(ethylene oxide) linkers

  摘要：

  Naphthyridine dimer is a unique molecule that strongly, and selectively, binds to the guanine-guanine mismatch in duplex DNA. We have synthesized naphthyridine dimers possessing a different length of poly(ethylene oxide) (PEO) linker, and immobilized them to CM5 sensor chip to carry out a surface plasmon resonance (SPR) assay of DNA duplexes containing a single base mismatch. The sensitivity of the sensor remarkably increased with increasing numbers of PEO units incorporated into the linker. With the sensor surface immobilized naphthyridine dimer for 1.5 x 10(3) response unit (RU) through three PEO units, the distinct SPR signal was observed at a concentration of 1 nM of the 27-mer G-G mismatch. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.079