4-[(Carbamimidoylsulfanyl)methyl]benzoic acid hydrochloride | 263758-16-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(Carbamimidoylsulfanyl)methyl]benzoic acid hydrochloride
• 英文别名: 4-(carbamimidoylsulfanylmethyl)benzoic acid;hydrochloride
• CAS: 263758-16-3
• 化学式: C₉H₁₀N₂O₂S*ClH
• mdl: MFCD00832588
• 分子量: 246.718
• InChiKey: HPNJQYNCSUCORC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.05
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  113
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[(Carbamimidoylsulfanyl)methyl]benzoic acid hydrochloride 在 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 反应 1.0h， 以3 g的产率得到4-疏基甲基苯甲酸
  参考文献：
  名称：

  A flexizyme that selectively charges amino acids activated by a water-friendly leaving group

  摘要：

  We have developed a new flexizyme (a flexible de novo tRNA acylation ribozyme) system, a pair of amino-derivatized benzyl thioester (ABT) and amino flexizyme (aFx). ABT bearing the ammonium ion was designed to render the acyl-donor substrates better water solubility. Although the previously reported flexizymes (eFx and dFx) did not show acylation activity for the ABT derivatives, a new flexizyme variant aFx, generated by in vitro selection against an amino acid activated ABT, exhibits high selectivity toward those activated ABT. The flexizymes system including aFx, eFx, and dFx enables us to prepare a wide variety of acyl-tRNAs charged with non-proteinogenic amino acids. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.114
• 作为产物：
  描述：

  对氯甲基苯甲酸 、 硫脲 以 水 为溶剂， 反应 1.0h， 生成 4-[(Carbamimidoylsulfanyl)methyl]benzoic acid hydrochloride
  参考文献：
  名称：

  A flexizyme that selectively charges amino acids activated by a water-friendly leaving group

  摘要：

  We have developed a new flexizyme (a flexible de novo tRNA acylation ribozyme) system, a pair of amino-derivatized benzyl thioester (ABT) and amino flexizyme (aFx). ABT bearing the ammonium ion was designed to render the acyl-donor substrates better water solubility. Although the previously reported flexizymes (eFx and dFx) did not show acylation activity for the ABT derivatives, a new flexizyme variant aFx, generated by in vitro selection against an amino acid activated ABT, exhibits high selectivity toward those activated ABT. The flexizymes system including aFx, eFx, and dFx enables us to prepare a wide variety of acyl-tRNAs charged with non-proteinogenic amino acids. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.114

文献信息

• A flexizyme that selectively charges amino acids activated by a water-friendly leaving group
  作者：Nobuyoshi Niwa、Yusuke Yamagishi、Hiroshi Murakami、Hiroaki Suga

  DOI：10.1016/j.bmcl.2009.03.114

  日期：2009.7

  We have developed a new flexizyme (a flexible de novo tRNA acylation ribozyme) system, a pair of amino-derivatized benzyl thioester (ABT) and amino flexizyme (aFx). ABT bearing the ammonium ion was designed to render the acyl-donor substrates better water solubility. Although the previously reported flexizymes (eFx and dFx) did not show acylation activity for the ABT derivatives, a new flexizyme variant aFx, generated by in vitro selection against an amino acid activated ABT, exhibits high selectivity toward those activated ABT. The flexizymes system including aFx, eFx, and dFx enables us to prepare a wide variety of acyl-tRNAs charged with non-proteinogenic amino acids. (C) 2009 Elsevier Ltd. All rights reserved.