2-Hexadecyloxy-6-hydroxy-benzoic acid methyl ester | 186139-02-6

• 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-Hexadecyloxy-6-hydroxy-benzoic acid methyl ester
• 英文别名: methyl 2-hexadecoxy-6-hydroxybenzoate
• CAS: 186139-02-6
• 化学式: C₂₄H₄₀O₄
• 分子量: 392.579
• InChiKey: WZWQTAAKKZOVDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.04
• 重原子数：
  28.0
• 可旋转键数：
  17.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-Hexadecyloxy-6-hydroxy-benzoic acid methyl ester 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以45%的产率得到2-(hexadecyloxy)-6-hydroxybenzoic acid
  参考文献：
  名称：

  6-Oxa isosteres of anacardic acids as potent inhibitors of bacterial histidine protein kinase (HPK)-mediated two-component regulatory systems

  摘要：

  A series of 6-oxa isosteres of anacardic acids (6-higher alkkyl/alkenyl-2-hydroxybenzoic acids) was synthesised and several members were discovered to be among the most potent inhibitors (IC50 values less than or equal to 5 mu M) of the bacterial two-component regulatory systems, KinA/SpoOF and NRII/NRI, reported to date. The Gram-positive antibacterial activity in selected strains is also presented. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00508-9
• 作为产物：
  描述：

  2,6-二羟基苯甲酸 在 硫酸 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 生成 2-Hexadecyloxy-6-hydroxy-benzoic acid methyl ester
  参考文献：
  名称：

  6-Oxa isosteres of anacardic acids as potent inhibitors of bacterial histidine protein kinase (HPK)-mediated two-component regulatory systems

  摘要：

  A series of 6-oxa isosteres of anacardic acids (6-higher alkkyl/alkenyl-2-hydroxybenzoic acids) was synthesised and several members were discovered to be among the most potent inhibitors (IC50 values less than or equal to 5 mu M) of the bacterial two-component regulatory systems, KinA/SpoOF and NRII/NRI, reported to date. The Gram-positive antibacterial activity in selected strains is also presented. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00508-9