N-succinimidyl 4-[4-(7-nitro-2,1,3-benzoxadiazol-4-yl)piperazino]-4-oxobutanoate | 849114-71-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-succinimidyl 4-[4-(7-nitro-2,1,3-benzoxadiazol-4-yl)piperazino]-4-oxobutanoate
• CAS: 849114-71-2
• 化学式: C₁₈H₁₈N₆O₈
• 分子量: 446.376
• InChiKey: CMVARBZTTAMVOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.17
• 重原子数：
  32.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  169.29
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  tris{[2-[((N-hydroxy-N-methylcarbamoyl)methyl)aminocarbonyl]ethoxy]methyl}methylamine 、 N-succinimidyl 4-[4-(7-nitro-2,1,3-benzoxadiazol-4-yl)piperazino]-4-oxobutanoate 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 96.0h， 以20%的产率得到
  参考文献：
  名称：

  A new route to trihydroxamate-containing artificial siderophores and synthesis of a new fluorescent probe

  摘要：

  A fluorescent labelled artificial siderophore 1 was synthesized by coupling a 7-nitrobenz-2-oxa-1,3-diazole (NBD) derivative to the terminal amino group of a new trihydroxamate-containing amine 2, a ferrichrome-type siderophore that was obtained from tris(hydroxymethyl) amino methane. Compound I was shown to be a suitable tool for experiments on siderophore transport and uptake processes in various organisms cells and particularly in Candida albicans cells. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.11.053
• 作为产物：
  描述：

  4-硝基-7-哌嗪苯并氧杂噁二唑 在 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 48.0h， 生成 N-succinimidyl 4-[4-(7-nitro-2,1,3-benzoxadiazol-4-yl)piperazino]-4-oxobutanoate
  参考文献：
  名称：

  A new route to trihydroxamate-containing artificial siderophores and synthesis of a new fluorescent probe

  摘要：

  A fluorescent labelled artificial siderophore 1 was synthesized by coupling a 7-nitrobenz-2-oxa-1,3-diazole (NBD) derivative to the terminal amino group of a new trihydroxamate-containing amine 2, a ferrichrome-type siderophore that was obtained from tris(hydroxymethyl) amino methane. Compound I was shown to be a suitable tool for experiments on siderophore transport and uptake processes in various organisms cells and particularly in Candida albicans cells. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.11.053