2-(2-(2-carboxyethyl)-16-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-4,8-dioxo-6-oxa-3,9,16-triazaoctadecanamido)pentanedioic acid | 1192691-81-8

• 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: 2-(2-(2-carboxyethyl)-16-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-4,8-dioxo-6-oxa-3,9,16-triazaoctadecanamido)pentanedioic acid
• 英文别名: gluglu-isoluminol
• CAS: 1192691-81-8
• 化学式: C₃₀H₄₂N₆O₁₂
• 分子量: 678.696
• InChiKey: OYOAPLDFGMAHTD-VXKWHMMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.48
• 重原子数：
  48.0
• 可旋转键数：
  23.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  277.39
• 氢给体数：
  8.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  L-alpha-谷氨酰-L-谷氨酸 、 ({6-[(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-ethylamino]-hexylcarbamoyl}-methoxy)-acetic acid 在 dimethoxytriazole methyl morphonium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.5h， 以27%的产率得到2-(2-(2-carboxyethyl)-16-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-4,8-dioxo-6-oxa-3,9,16-triazaoctadecanamido)pentanedioic acid
  参考文献：
  名称：

  Synthesis of novel isoluminol probes and their use in rapid bacterial assays

  摘要：

  Rapid assays for bacteria have been developed utilizing novel LysLysLys-isoluminol (14) and GluGlu-isoluminol (16) probes that have been derived from peptides which potentially mimic bacteriophage attachment protein binding regions. Compared to two conventional methods that are widely used, namely nucleic acid probes and polymerase chain reaction (PCR) assays, these types of probes may eventually have certain advantages, such as high sensitivity, and short preparation and assay time. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.004