tert-butyl({2-[(4-(Aminomethyl)phenyl)sulfanyl]ethyl}amino)acetat | 663623-50-5

• 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: tert-butyl({2-[(4-(Aminomethyl)phenyl)sulfanyl]ethyl}amino)acetat
• 英文别名: Tert-butyl 2-[2-[4-(aminomethyl)phenyl]sulfanylethylamino]acetate；tert-butyl 2-[2-[4-(aminomethyl)phenyl]sulfanylethylamino]acetate
• CAS: 663623-50-5
• 化学式: C₁₅H₂₄N₂O₂S
• 分子量: 296.434
• InChiKey: JKILLFUWKWPMNP-UHFFFAOYSA-N

物化性质

• 沸点：
  426.3±45.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  89.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl({2-[(4-(Aminomethyl)phenyl)sulfanyl]ethyl}amino)acetat 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成
  参考文献：
  名称：

  Part 1: N-Alkylated glycines as potent α2δ ligands

  摘要：

  A new series of glycine-derived ligands of the alpha(2)delta subunit of voltage gated calcium channels is described. Several novel compounds (7) based on (6) were prepared that possessed a potency <100 nM in the alpha(2)delta binding assay. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.045
• 作为产物：
  描述：

  4-((2-aminoethyl)thio)benzonitrile 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 tert-butyl({2-[(4-(Aminomethyl)phenyl)sulfanyl]ethyl}amino)acetat
  参考文献：
  名称：

  Part 1: N-Alkylated glycines as potent α2δ ligands

  摘要：

  A new series of glycine-derived ligands of the alpha(2)delta subunit of voltage gated calcium channels is described. Several novel compounds (7) based on (6) were prepared that possessed a potency <100 nM in the alpha(2)delta binding assay. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.045

文献信息

• Part 1: N-Alkylated glycines as potent α2δ ligands
  作者：Lisa R. Thompson、David C. Blakemore、Delphine Brugier、Justin S. Bryans、Wai-Lam A. Chu、Graham N. Maw、Cedric Poinsard、David J. Rawson、Andrew N. Warren

  DOI：10.1016/j.bmcl.2011.04.045

  日期：2011.6

  A new series of glycine-derived ligands of the alpha(2)delta subunit of voltage gated calcium channels is described. Several novel compounds (7) based on (6) were prepared that possessed a potency <100 nM in the alpha(2)delta binding assay. (C) 2011 Elsevier Ltd. All rights reserved.