2,6-Bis[(2-hydroxyethylamino)methyl]-4-methylphenol | 357400-02-3

• 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: 2,6-Bis[(2-hydroxyethylamino)methyl]-4-methylphenol
• CAS: 357400-02-3
• 化学式: C₁₃H₂₂N₂O₃
• 分子量: 254.329
• InChiKey: JUOFWYNHVFNJQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  84.8
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,6-Bis[(2-hydroxyethylamino)methyl]-4-methylphenol 、 penicillin G 在 phosphate buffer 作用下， 生成
  参考文献：
  名称：

  Reaction of Lys-Tyr-Lys Triad Mimics with Benzylpenicillin: Insight into the Role of Tyr150 in Class C β-Lactamase

  摘要：

  Small and simple molecules mimicking a Lys-Tyr-Lys triad and some 'mutant' derivatives were designed and synthesized. These compounds react with benzypenicillin in water (75 mM phosphate buffer, pH 7), apparently through general base assistance by the phenolic moiety. Class C beta -lactamase has a Lys-Tyr-Lys triad in its active site, and our finding gives some insight into the role of this triad in the enzymatic beta -lactam hydrolysis mechanism. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00168-8
• 作为产物：
  描述：

  2-羟基-5-甲基间苯二甲醇 在 palladium on activated charcoal 草酰氯 、 氢气 、 sodium cyanoborohydride 、 potassium carbonate 、 溶剂黄146 、 二甲基亚砜 作用下， 以 甲醇 、 二氯甲烷 、 丙酮 为溶剂， -78.0~20.0 ℃ 、253.31 kPa 条件下， 反应 16.0h， 生成 2,6-Bis[(2-hydroxyethylamino)methyl]-4-methylphenol
  参考文献：
  名称：

  Reaction of Lys-Tyr-Lys Triad Mimics with Benzylpenicillin: Insight into the Role of Tyr150 in Class C β-Lactamase

  摘要：

  Small and simple molecules mimicking a Lys-Tyr-Lys triad and some 'mutant' derivatives were designed and synthesized. These compounds react with benzypenicillin in water (75 mM phosphate buffer, pH 7), apparently through general base assistance by the phenolic moiety. Class C beta -lactamase has a Lys-Tyr-Lys triad in its active site, and our finding gives some insight into the role of this triad in the enzymatic beta -lactam hydrolysis mechanism. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00168-8

文献信息

• Reaction of Lys-Tyr-Lys Triad Mimics with Benzylpenicillin: Insight into the Role of Tyr150 in Class C β-Lactamase
  作者：Yoko Kato-Toma、Masaji Ishiguro

  DOI：10.1016/s0960-894x(01)00168-8

  日期：2001.5

  Small and simple molecules mimicking a Lys-Tyr-Lys triad and some 'mutant' derivatives were designed and synthesized. These compounds react with benzypenicillin in water (75 mM phosphate buffer, pH 7), apparently through general base assistance by the phenolic moiety. Class C beta -lactamase has a Lys-Tyr-Lys triad in its active site, and our finding gives some insight into the role of this triad in the enzymatic beta -lactam hydrolysis mechanism. (C) 2001 Elsevier Science Ltd. All rights reserved.