Phosphoric acid mono-(2-cyano-quinolin-8-yl) ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: Phosphoric acid mono-(2-cyano-quinolin-8-yl) ester
• 英文别名: 2-Cyanoquinolin-8-YL dihydrogen phosphate；(2-cyanoquinolin-8-yl) dihydrogen phosphate
• 化学式: C₁₀H₇N₂O₄P
• 分子量: 250.15
• InChiKey: NQLPTOOPFMPCHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  8-羟基喹啉-2-甲腈 在 4-二甲氨基吡啶 、 t-butylphosphite bound on the Wang resin A 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 乙腈 、 二氯甲烷 为溶剂， 反应 1.5h， 生成 Phosphoric acid mono-(2-cyano-quinolin-8-yl) ester
  参考文献：
  名称：

  Small ligands interacting with the phosphotyrosine binding pocket of the Src SH2 protein

  摘要：

  Various small fragments bearing phosphate, phosphonate or phosphonic acid moieties have been prepared through parallel synthesis and their binding potencies evaluated on the Sre SH2 protein using a BIAcore assay. This provided us insight into the requirement of the Src SH2 pTyr binding pocket and some promising small ligands have been characterised. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00140-3

文献信息

• Small ligands interacting with the phosphotyrosine binding pocket of the Src SH2 protein
  作者：Pierre Deprez、Eliane Mandine、Dominique Gofflo、Stéphane Meunier、Dominique Lesuisse

  DOI：10.1016/s0960-894x(02)00140-3

  日期：2002.5

  Various small fragments bearing phosphate, phosphonate or phosphonic acid moieties have been prepared through parallel synthesis and their binding potencies evaluated on the Sre SH2 protein using a BIAcore assay. This provided us insight into the requirement of the Src SH2 pTyr binding pocket and some promising small ligands have been characterised. (C) 2002 Elsevier Science Ltd. All rights reserved.