4-(methoxycarbonyl)phenyl 3,4,5-trimethoxybenzoate | 109470-61-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 4-(methoxycarbonyl)phenyl 3,4,5-trimethoxybenzoate
• 英文别名: 4-(3,4,5-trimethoxy-benzoyloxy)-benzoic acid methyl ester；4-(3,4,5-Trimethoxy-benzoyloxy)-benzoesaeure-methylester；Trimethylaethergallussaeure-(4-carbomethoxy-phenylester)；(4-Methoxycarbonylphenyl) 3,4,5-trimethoxybenzoate
• CAS: 109470-61-3
• 化学式: C₁₈H₁₈O₇
• 分子量: 346.337
• InChiKey: DQHAPSWTXYNRFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3,4,5-三甲氧基苯甲酰氯 、 对羟基苯甲酸甲酯 在 sodium hydroxide 、 乙醚 作用下， 生成 4-(methoxycarbonyl)phenyl 3,4,5-trimethoxybenzoate
  参考文献：
  名称：

  Mauthner, Journal fur praktische Chemie (Leipzig 1954), 1912, vol. <2> 85, p. 312

  摘要：

  DOI：

文献信息

• Phenyl Esters Are Potent Inhibitors of Caseinolytic Protease P and Reveal a Stereogenic Switch for Deoligomerization
  作者：Mathias W. Hackl、Markus Lakemeyer、Maria Dahmen、Manuel Glaser、Axel Pahl、Katrin Lorenz-Baath、Thomas Menzel、Sonja Sievers、Thomas Böttcher、Iris Antes、Herbert Waldmann、Stephan A. Sieber

  DOI：10.1021/jacs.5b03084

  日期：2015.7.8

  phenyl ester compounds as highly potent ClpP inhibitors that were selective for bacterial, but not human ClpP. The potency of phenyl esters largely exceeded that of beta-lactones in ClpP peptidase and protease inhibition assays and displayed unique target selectivity in living S. aureus cells. Analytical studies revealed that while phenyl esters are cleaved like native peptide substrates, they remain

  酪蛋白水解蛋白酶 P (ClpP) 是一种参与细胞稳态和致病性的中心细菌降解机制。ClpP 的功能作用已经通过基因敲除和β-内酯的使用进行了研究，β-内酯仍然是迄今为止发现的唯一的 ClpP 特异性抑制剂。β-内酯已作为化学工具在多种生物体中操纵 ClpP；然而，它们的效力、选择性和稳定性是有限的。尽管对 ClpP 活性位点的组成和构象灵活性有详细的结构见解，但迄今为止还没有报道设计特定的非 β-内酯抑制剂的合理努力。在这项工作中，对超过 137 000 种化合物的无偏见筛选用于鉴定五种苯酯化合物作为高效的 ClpP 抑制剂，这些抑制剂对细菌、但不是人类 ClpP。在 ClpP 肽酶和蛋白酶抑制试验中，苯基酯的效力大大超过了 β-内酯，并在活的金黄色葡萄球菌细胞中显示出独特的靶标选择性。分析研究表明，虽然苯基酯像天然肽底物一样被裂解，但它们仍然作为酰基酶中间体共价捕获在活性位点中。36 种衍生物的合成和随后的构效关系
• Pepe, Anales des la Asociacion Quimica Argentina, 1956, vol. 44, p. 5,9
  作者：Pepe

  DOI：——

  日期：——
• Dope Filtering Method and Solution Casting Method Using The Dope
  申请人：Ito Takashi

  公开号：US20080073810A1

  公开（公告）日：2008-03-27

  A dope ( 36 ) containing TAC and plasticizer is produced. Foreign materials in the dope ( 36 ) are filtrated by a filtration device ( 57 ). In the filtration device ( 57 ), the dope ( 36 ) flows from an outer passage ( 58 a ) to an inner passage ( 58 b ) through a filter ( 59 ). The filter ( 59 ) has a first layer ( 59 a ), a second layer ( 59 b ), and a third layer ( 59 c ), which are formed of sintered metal fibers. An average diameter of the sintered metal fibers of the first layer ( 59 a ) is 8 mm, that of the second layer ( 59 b ) is 4 mm, and that of the third layer ( 59 c ) is 20 mm. The filter ( 59 ) is roasted 2 hours at 400° C. and reused. Breakages from the sintered metal fibers in the first and second layers ( 59 a , 59 b ) are filtrated in the third layer ( 59 c ).
• Polymer Film and Solution Casting Method for Producing Thereof
  申请人：Miyachi Hiroshi

  公开号：US20090022970A1

  公开（公告）日：2009-01-22

  A dope containing TAC is cast onto a belt. When having self-supporting properties, the dope is peeled as a wet film ( 46 ) from the belt, and transported into a tenter dryer ( 60 ). A preheating is made in an entrance section ( 80 ), and a stretching is made in a stretching section ( 81 ). In a relaxation section ( 82 ), the width of the film was becomes shorter, and in the exit section ( 83 ), the width was kept to be uniform and transported from the tenter dryer ( 60 ) as a film ( 61 ). When a width of the wet film ( 46 ) right before the stretching is L1 (mm), a maximum width of the wet film ( 46 ) in the stretching is L2 (mm) and a width of the wet film ( 46 ) right after the relaxation is L3 (mm), the stretching and relaxation are performed so as to satisfy a following formula, 3<( L 2− L 3)/ L 1×100<9