benzyl 4-(benzyloxy)-3-hydroxybenzoate | 263277-12-9

• 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: benzyl 4-(benzyloxy)-3-hydroxybenzoate
• 英文别名: benzyl 3-hydroxy-4-phenylmethoxybenzoate
• CAS: 263277-12-9
• 化学式: C₂₁H₁₈O₄
• 分子量: 334.372
• InChiKey: VJEWLMHAPKBHFM-UHFFFAOYSA-N

物化性质

• 沸点：
  529.7±40.0 °C(Predicted)
• 密度：
  1.233±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  benzyl 4-(benzyloxy)-3-hydroxybenzoate 在 4-二甲氨基吡啶 、 palladium 10% on activated carbon 、 甲酸铵 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 46.0h， 生成 4-hydroxy-3-sulfooxybenzoic acid monoammonium salt
  参考文献：
  名称：

  Flavonoid metabolism: the synthesis of phenolic glucuronides and sulfates as candidate metabolites for bioactivity studies of dietary flavonoids

  摘要：

  Epidemiological studies indicate that flavonoid intake is inversely associated with the risk of coronary heart disease, yet the mechanisms responsible for their bioactivity are still a matter of debate. Based on the rapid and extensive metabolism of most flavonoids, their health effects most likely result from the biological activity of their metabolites. However, a lack of commercially available compounds/standards has prevented the study of metabolite bioactivity and resulted in a focus on non-physiologically relevant precursor/parent structures. This paper details the synthesis of a series of phenolic glucuronide 1a-e and sulfate 2a-e derivates as candidate metabolites for use as reference compounds in metabolic profiling studies and for the exploration of flavonoid bioactivity. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2012.03.100
• 作为产物：
  描述：

  3,4-二乙酰氧基苯甲酸 在 水 、 sodium carbonate 、 potassium carbonate 、 potassium iodide 作用下， 以 四氢呋喃 、 甲醇 、 丙酮 为溶剂， 反应 24.0h， 生成 benzyl 4-(benzyloxy)-3-hydroxybenzoate
  参考文献：
  名称：

  Flavonoid metabolism: the synthesis of phenolic glucuronides and sulfates as candidate metabolites for bioactivity studies of dietary flavonoids

  摘要：

  Epidemiological studies indicate that flavonoid intake is inversely associated with the risk of coronary heart disease, yet the mechanisms responsible for their bioactivity are still a matter of debate. Based on the rapid and extensive metabolism of most flavonoids, their health effects most likely result from the biological activity of their metabolites. However, a lack of commercially available compounds/standards has prevented the study of metabolite bioactivity and resulted in a focus on non-physiologically relevant precursor/parent structures. This paper details the synthesis of a series of phenolic glucuronide 1a-e and sulfate 2a-e derivates as candidate metabolites for use as reference compounds in metabolic profiling studies and for the exploration of flavonoid bioactivity. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2012.03.100

文献信息

• [EN] SUBSTITUTED PYRIDINE CARBOXYLIC ACIDS, THEIR PREPARATION METHOD AND COMPOSITIONS THEREOF<br/>[FR] ACIDES PYRIDINECARBOXYLIQUES SUBSTITUÉS, LEUR PROCÉDÉ DE PRÉPARATION ET COMPOSITIONS ASSOCIÉES
  申请人：INCILIA THERAPEUTICS PRIVATE LTD

  公开号：WO2020100169A1

  公开（公告）日：2020-05-22

  The present invention relates to novel substituted pyridine carboxylic acid derivatives and their preparation methods. This invention is also directed to pharmaceutical compositions containing such compounds and combinations thereof with at least one therapeutic agent. These substituted pyridine carboxylic acid compounds and their pharmaceutical acceptable salts and esters are useful in the treatment or control of various metabolic disorders.

  本发明涉及新型的取代吡啶羧酸衍生物及其制备方法。本发明还涉及含有这种化合物和至少一种治疗剂的药物组合物。这些取代吡啶羧酸化合物及其药物可接受的盐和酯在治疗或控制各种代谢性疾病方面是有用的。
• Synthesis of cyclic peptides
  申请人：The University of Queensland

  公开号：US07589170B1

  公开（公告）日：2009-09-15

  This invention relates to methods for preparing cyclic peptides and peptidomimetic compounds in solution and bound to solid supports, and to cyclic peptide or peptidomimetic libraries for use in drug screening programs. In particular, the invention relates to a generic strategy for synthesis of cyclic peptides or peptidomimetics that enables the efficient synthesis under mild conditions of a wide variety of desired compounds. Two approaches were evaluated for their improvements in solution and solid phase synthesis of small cyclic peptides: positioning reversible N-amide substituents in the sequence; and applying native ligation chemistry in an intramolecular sense. Systematic investigation of the effects of preorganising peptides prior to cyclisation by using peptide cyclisation auxiliaries, and developing new linkers and peptide cyclisation auxiliaries to aid cyclic peptide synthesis gives surprising improvements in both yields and purity of products compared to the prior art methods. The combination of these technologies provides a powerful generic approach for the solution and solid phase synthesis of small cyclic peptides. The ring contraction and N-amide substitution technology of the invention provide improved methods for the synthesis of cyclic peptides and peptidomimetics. When used in conjunction with linker strategies, this combination provides solid-phase avenues to cyclic peptides and peptidomimetics.

  本发明涉及在溶液中和固定到固体载体上制备环肽和类肽类化合物的方法，以及用于药物筛选计划的环肽或类肽类库。具体而言，本发明涉及一种通用的合成环肽或类肽类化合物的策略，使得在温和条件下高效地合成各种所需化合物成为可能。对于小环肽在溶液和固相合成方面的改进，评估了两种方法：在序列中定位可逆N酰胺取代基；在分子内应用原生连接化学。通过使用肽环化辅助剂预先组织肽链并开发新的连接剂和肽环化辅助剂，系统地研究了肽环化前的肽链组织对环化的影响，相比于现有技术方法，这些改进使产物的收率和纯度有了惊人的提高。这些技术的结合为小环肽的溶液和固相合成提供了强大的通用方法。本发明的环收缩和N酰胺取代技术提供了改进的环肽和类肽类化合物的合成方法。当与连接剂策略结合使用时，这种组合为固相合成环肽和类肽类化合物提供了途径。
• SYNTHESIS OF CYCLIC PEPTIDES
  申请人：THE UNIVERSITY OF QUEENSLAND

  公开号：EP1115738A1

  公开（公告）日：2001-07-18
• EP1115738A4
  申请人：——

  公开号：EP1115738A4

  公开（公告）日：2004-09-01
• SUBSTITUTED PYRIDINE CARBOXYLIC ACIDS, THEIR PREPARATION METHOD AND COMPOSITIONS THEREOF
  申请人：INCILIA THERAPEUTICS PRIVATE LIMITED

  公开号：US20220009892A1

  公开（公告）日：2022-01-13

  The present invention relates to novel substituted pyridine carboxylic acid derivatives and their preparation methods. This invention is also directed to pharmaceutical compositions containing such compounds and combinations thereof with at least one therapeutic agent. These substituted pyridine carboxylic acid compounds and their pharmaceutical acceptable salts and esters are useful in the treatment or control of various metabolic disorders.