({6-[(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-ethylamino]-hexylcarbamoyl}-methoxy)-acetic acid | 78832-79-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: ({6-[(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-ethylamino]-hexylcarbamoyl}-methoxy)-acetic acid
• 英文别名: 2-[2-[6-[(1,4-Dioxo-2,3-dihydrophthalazin-6-yl)-ethylamino]hexylamino]-2-oxoethoxy]acetic acid
• CAS: 78832-79-8
• 化学式: C₂₀H₂₈N₄O₆
• 分子量: 420.466
• InChiKey: YMVDXNYMNLNJNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  30
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  137
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  三赖氨酸 、 ({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 甲醇 为溶剂， 反应 5.5h， 以48%的产率得到2,5,8-tris-(4-aminobutyl)-22-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-4,7,10,14-tetraoxo-12-oxa-3,6,9,15,22-pentaazatetracosan-1-oic 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
• 作为产物：
  描述：

  二甘醇酐 、 8-环戊基-1,3-二丙基-3,7-二氢-1H-嘌呤-2,6-二酮 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以50%的产率得到({6-[(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-ethylamino]-hexylcarbamoyl}-methoxy)-acetic 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

文献信息

• US7759468B1
  申请人：——

  公开号：US7759468B1

  公开（公告）日：2010-07-20
• Synthesis of novel isoluminol probes and their use in rapid bacterial assays
  作者：Sundar Neelakantan、Iwan Surjawan、Huseyin Karacelik、Clair L. Hicks、Peter A. Crooks

  DOI：10.1016/j.bmcl.2009.08.004

  日期：2009.10

  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.