Ethyl 6-[4,6-dioxo-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-diazinan-1-yl]hexanoate | 1026620-50-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: Ethyl 6-[4,6-dioxo-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-diazinan-1-yl]hexanoate
• CAS: 1026620-50-7
• 化学式: C₁₈H₂₃N₃O₄S
• 分子量: 377.464
• InChiKey: SWPVPIWLLAJBJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Ethyl 6-[4,6-dioxo-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-diazinan-1-yl]hexanoate 在 lithium hydroxide 作用下， 以 水 为溶剂， 反应 16.0h， 以36%的产率得到1-[(pyridin-3-yl)methyl]-3-(5-carboxypentyl)-2-thiobarbituric acid
  参考文献：
  名称：

  Synthesis of a Far Red Absorbing Thiobarbituric Acid Oxonol Derivative as a Fluorescent Probe for Biological Applications

  摘要：

  A water-soluble oxonol dye containing a reactive hydroxysuccinimidyl ester suitable for reaction with biomolecules has been prepared This fluorescent compound has lambda(max)(abs) 631nm,epsilon(abs) 147,000M(-1) cm(-1), lambda(max)(em) 659 nm, and quantum yield 0.30.

  DOI：

  10.1081/scc-120026856
• 作为产物：
  描述：

  6-氨基-己酸乙酯盐酸盐 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 24.42h， 生成 Ethyl 6-[4,6-dioxo-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-diazinan-1-yl]hexanoate
  参考文献：
  名称：

  Synthesis of a Far Red Absorbing Thiobarbituric Acid Oxonol Derivative as a Fluorescent Probe for Biological Applications

  摘要：

  A water-soluble oxonol dye containing a reactive hydroxysuccinimidyl ester suitable for reaction with biomolecules has been prepared This fluorescent compound has lambda(max)(abs) 631nm,epsilon(abs) 147,000M(-1) cm(-1), lambda(max)(em) 659 nm, and quantum yield 0.30.

  DOI：

  10.1081/scc-120026856

文献信息

• Synthesis of a Far Red Absorbing Thiobarbituric Acid Oxonol Derivative as a Fluorescent Probe for Biological Applications
  作者：Leslie W. Deady、Andrew B. Hughes、Nectarios Klonis、Nurul H. Quazi、Leann M. Tilley

  DOI：10.1081/scc-120026856

  日期：2003.12.31

  A water-soluble oxonol dye containing a reactive hydroxysuccinimidyl ester suitable for reaction with biomolecules has been prepared This fluorescent compound has lambda(max)(abs) 631nm,epsilon(abs) 147,000M(-1) cm(-1), lambda(max)(em) 659 nm, and quantum yield 0.30.