(E)-2,4-dioxo-6-phenylhex-5-enoic acid | 85763-14-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-2,4-dioxo-6-phenylhex-5-enoic acid
• CAS: 85763-14-0
• 化学式: C₁₂H₁₀O₄
• 分子量: 218.209
• InChiKey: UZQCYIQOXAAUAY-VOTSOKGWSA-N

物化性质

• 沸点：
  397.5±25.0 °C(Predicted)
• 密度：
  1.292±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-2,4-dioxo-6-phenylhex-5-enoic acid 在 乙酸酐 作用下， 以 苯 为溶剂， 反应 0.17h， 生成 (E)-ethyl 2,4-dioxo-6-phenylhex-5-enoate
  参考文献：
  名称：

  Shurov; Porvintsev; Kosvintseva, Russian Journal of Organic Chemistry, 1997, vol. 33, # 8, p. 1116 - 1124

  摘要：

  DOI：
• 作为产物：
  描述：

  methyl (E)-6-phenyl-2,4-dioxohex-5-enoate 在 sodium hydroxide 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 生成 (E)-2,4-dioxo-6-phenylhex-5-enoic acid
  参考文献：
  名称：

  Inhibitors of glycolic acid oxidase. 4-Substituted-2,4-dioxobutanoic acid derivatives

  摘要：

  Fourteen new 4-substituted 2,4-dioxobutanoic acids have been synthesized. These compounds, all of which contain lipophilic 4-substituents, are potent inhibitors in vitro of porcine liver glycolic acid oxidase. The I50 value of the two most potent representatives, 4-(4'-bromo[1,1'-biphenyl]-4-yl)-2, 4-dioxobutanoic acid (8) and 4-[4'-[[(3,4-dihydro-3-hydroxy-2H-1, 5-benzodioxepin-3-yl)methyl]thio][1,1'-biphenyl]-4-yl]-2, 4-dioxobutanoic acid (13) is 6 X 10(-8)M.

  DOI：

  10.1021/jm00362a020

文献信息

• [EN] SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS<br/>[FR] COMPOSÉS TRICYCLIQUES SUBSTITUÉS POSSÉDANT UNE ACTIVITÉ CONTRE LES RÉCEPTEURS EP1
  申请人：ALMIRALL SA

  公开号：WO2013149997A1

  公开（公告）日：2013-10-10

  The present invention belongs to the field of EP1 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP1 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP1 receptor as well as to pharmaceutical compositions comprising them.

  本发明属于EP1受体配体领域。更具体地，它涉及具有对EP1受体具有很高亲和力和选择性的一般式(I)化合物。该发明还涉及它们的制备方法，以及它们作为药物用于治疗和/或预防由EP1受体介导的疾病或紊乱，以及包含它们的药物组合物。
• Substituted tricyclic compounds with activity towards ep1 receptors
  申请人：Almirall, S.A.

  公开号：EP2647628A1

  公开（公告）日：2013-10-09

  The present invention belongs to the field of EP1 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP1 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP1 receptor as well as to pharmaceutical compositions comprising them.

  本发明属于 EP1 受体配体领域。更具体地说，它指的是对 EP1 受体具有高亲和力和选择性的通式（I）化合物。本发明还涉及其制备工艺、用作治疗和/或预防由 EP1 受体介导的疾病或失调的药物以及包含它们的药物组合物。
• COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF
  申请人：Gorbunov, Sergei Valeryevich

  公开号：EP3473098A1

  公开（公告）日：2019-04-24

  A composition for regulating plant growth, the active ingredient of which is an ester of oxaloacetic acid or a salt thereof, or derivatives thereof, wherein the ester of oxaloacetic acid has the given formula, where R1 and R2 are independently selected from a series of C1-C18 alkyl groups, and wherein the content of the active ingredient corresponds to a concentration of from 10-11 M to 10-3 M. The active ingredients and compositions for regulating plant growth allow for treating plants in order to stimulate the growth thereof and achieve such advantages as increased yields, improved plant quality, improved nutrient absorption and enhanced stress resistance, while allowing such advantages to be achieved using a relatively small amount of an active ingredient(s) which is/are biodegradable and environmentally friendly.

  一种调节植物生长的组合物，其活性成分是草酰乙酸酯或其盐或其衍生物，其中草酰乙酸酯具有给定的式，其中 R1 和 R2 独立地选自一系列 C1-C18 烷基，活性成分的含量相当于 10-11 M 至 10-3 M 的浓度。调节植物生长的活性成分和组合物可以对植物进行处理，以刺激植物的生长，达到提高产量、改善植物质量、改善养分吸收和增强抗逆性等优点，同时只需使用相对少量的活性成分即可达到上述优点，而且活性成分可生物降解，对环境友好。
• Multi-tiered, high through-put screen for compounds effective against bacterial biofilm compounds effective for inhibiting and eradicating bacterial biofilm
  申请人：University of Cincinnati

  公开号：US10202631B2

  公开（公告）日：2019-02-12

  A high through-put screening method for identifying agents effective for inhibiting biofilm formation and/or killing established biofilm are disclosed. The method includes three tiers, and each tier includes three specific biological process assays. The tier levels are a primary screen, a confirmation screen, and a dose-response screen, and the biological process assays include as says for total bacterial growth, bacterial metabolic activity, and biofilm formation.

  本发明公开了一种高通量筛选方法，用于确定可有效抑制生物膜形成和/或杀死已形成的生物膜的制剂。该方法包括三个层级，每个层级包括三个特定的生物过程检测。层级为初筛、确认筛和剂量反应筛，生物过程测定包括细菌生长总量、细菌代谢活性和生物膜形成。
• Multi-tiered high through-put screen for compounds effective against bacterial biofilm and compounds effective for inhibiting and eradicating bacterial biofilm
  申请人：University of Cincinnati

  公开号：US10704076B2

  公开（公告）日：2020-07-07

  A high through-put screening method for identifying agents effective for inhibiting biofilm formation and/or killing established biofilm are disclosed. The method includes three tiers, and each tier includes three specific biological process assays. The tier levels are a primary screen, a confirmation screen, and a dose-response screen, and the biological process assays include assays for total bacterial growth, bacterial metabolic activity, and biofilm formation. The series of assays may be run once or more than once at each tier. A library of compounds is subject to tier A and only compounds meeting a primary parameter advance to tier B, and only tier B compounds meeting a confirmation parameter advance to tier C, and only tier C compounds meeting a dose-response parameter are identified as putative agents effective for inhibiting and/or eradicating a biofilm, further wherein the assays are conducted for each compound subject to the respective tier. The method is effective and validated for identifying agents which inhibit and/or kill Staphylococcus epidermidis, Pseudomonas aeruginosa, and Acinetobacter baumannii biofilms. Agents identified according to the high through-put screen and validated in follow-up experiments as effective for inhibiting and/or killing bacterial biofilms are also disclosed.

  本发明公开了一种高通量筛选方法，用于确定可有效抑制生物膜形成和/或杀死已形成的生物膜的制剂。该方法包括三个层级，每个层级包括三个特定的生物过程检测。层级为初筛、确认筛和剂量反应筛，生物过程测定包括细菌总生长、细菌代谢活性和生物膜形成测定。一系列检测可在每个层级进行一次或多次。将化合物库分为 A 层，只有符合主要参数的化合物才能进入 B 层，只有符合确认参数的 B 层化合物才能进入 C 层，只有符合剂量-反应参数的 C 层化合物才能被鉴定为对抑制和/或消除生物膜有效的假定制剂。该方法对于鉴定抑制和/或杀死表皮葡萄球菌、铜绿假单胞菌和鲍曼不动杆菌生物膜的制剂是有效的，也是经过验证的。还公开了根据高通量筛选确定并在后续实验中验证可有效抑制和/或杀死细菌生物膜的制剂。