2-(pyridin-2-ylthio)ethyl 3-oxobutanoate | 1256945-14-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(pyridin-2-ylthio)ethyl 3-oxobutanoate
• 英文别名: 2-Pyridin-2-ylsulfanylethyl 3-oxobutanoate
• CAS: 1256945-14-8
• 化学式: C₁₁H₁₃NO₃S
• 分子量: 239.295
• InChiKey: BIVLIAYMHJUWBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  81.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(pyridin-2-ylthio)ethyl 3-oxobutanoate 、 N,N-二甲基甲酰胺二甲基缩醛 反应 5.0h， 生成 2-pyridin-2-ylsulfanylethyl 2-(dimethylaminomethylidene)-3-oxobutanoate
  参考文献：
  名称：

  Effect of milrinone analogues on intracellular calcium increase in single living H9C2 cardiac cells

  摘要：

  The synthesis of milrinone analogues where the 4-pyridyl moiety was replaced by an ester or amide group is reported. Only amide derivatives are able to support intracellular calcium influx following chemical depolarization with 60 mM KCI in a percentage varying from 20 to 45% of differentiated H9C2 cardiomyocytes. Those cells were differentiated after chronic exposure to 10 nM retinoic acid which induces the expression of voltage-gated calcium channels. Analogues of milrinone containing an ester function did not show significant activity. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.08.001
• 作为产物：
  描述：

  2-(2-吡啶硫代)-1-乙醇 、 乙酰乙酸乙酯 以 甲苯 为溶剂， 反应 22.0h， 以60%的产率得到2-(pyridin-2-ylthio)ethyl 3-oxobutanoate
  参考文献：
  名称：

  Effect of milrinone analogues on intracellular calcium increase in single living H9C2 cardiac cells

  摘要：

  The synthesis of milrinone analogues where the 4-pyridyl moiety was replaced by an ester or amide group is reported. Only amide derivatives are able to support intracellular calcium influx following chemical depolarization with 60 mM KCI in a percentage varying from 20 to 45% of differentiated H9C2 cardiomyocytes. Those cells were differentiated after chronic exposure to 10 nM retinoic acid which induces the expression of voltage-gated calcium channels. Analogues of milrinone containing an ester function did not show significant activity. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.08.001

文献信息

• Effect of milrinone analogues on intracellular calcium increase in single living H9C2 cardiac cells
  作者：Tiziana Pietrangelo、Letizia Giampietro、Barbara De Filippis、Rita La Rovere、Stefania Fulle、Rosa Amoroso

  DOI：10.1016/j.ejmech.2010.08.001

  日期：2010.11

  The synthesis of milrinone analogues where the 4-pyridyl moiety was replaced by an ester or amide group is reported. Only amide derivatives are able to support intracellular calcium influx following chemical depolarization with 60 mM KCI in a percentage varying from 20 to 45% of differentiated H9C2 cardiomyocytes. Those cells were differentiated after chronic exposure to 10 nM retinoic acid which induces the expression of voltage-gated calcium channels. Analogues of milrinone containing an ester function did not show significant activity. (C) 2010 Elsevier Masson SAS. All rights reserved.