2-Oxo-3-[3-trifluoromethylbenzoyl]propanoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Oxo-3-[3-trifluoromethylbenzoyl]propanoic acid
• 英文别名: 2,4-dioxo-4-[3-(trifluoromethyl)phenyl]butanoic acid
• 化学式: C₁₁H₇F₃O₄
• 分子量: 260.169
• InChiKey: FDAFTJKOBZGOJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  间三氟甲基苯乙酮 在 sodium hydroxide 、 硫酸 、 sodium hydride 作用下， 以 水 、 甲苯 为溶剂， 生成 2-Oxo-3-[3-trifluoromethylbenzoyl]propanoic acid
  参考文献：
  名称：

  Slow-binding inhibition of 2-keto-3-deoxy-6-phosphogluconate (KDPG) aldolase

  摘要：

  2-Keto-3-deoxy-6-phosphogluconate (KDPG) aldolase is a key enzyme in the Entner-Doudoroff pathway of bacteria. It catalyzes the reversible production of KDPG from pyruvate and D-glyceraldehyde 3-phosphate through a class I Schiff base mechanism. On the basis of aldolase mechanistic pathway, various pyruvate analogues bearing beta-diketo structures were designed and synthesized as potential inhibitors. Their capacity to inhibit aldolase catalyzed reaction by forming stabilized iminium ion or conjugated enamine were investigated by enzymatic kinetics and UV-vis difference spectroscopy. Depending of the substituent R (methyl or aromatic ring), a competitive or a slow-binding inhibition takes place. These results were examined on the basis of the three-dimensional structure of the enzyme. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.03.039

文献信息

• COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF
  申请人：Gorbunov Sergei Valeryevich

  公开号：US20190119193A1

  公开（公告）日：2019-04-25

  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 formula set forth below, where R 1 and R 2 are independently selected from a series of C 1 -C 18 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.

  一种用于调节植物生长的组合物，其活性成分为草酰乙酸酯或其盐或其衍生物，其中草酰乙酸酯的化学式如下，其中R1和R2分别选自一系列C1-C18烷基基团，且活性成分的含量相当于10−11M至10−3M的浓度。这种用于调节植物生长的活性成分和组合物可用于处理植物，以刺激其生长并实现增产、改善植物质量、改善营养吸收和增强抗压能力等优点，同时使用相对较少的活性成分（它们是可生物降解和环保的）即可实现这些优点。
• Slow-binding inhibition of 2-keto-3-deoxy-6-phosphogluconate (KDPG) aldolase
  作者：Rémi Braga、Laurence Hecquet、Casimir Blonski

  DOI：10.1016/j.bmc.2004.03.039

  日期：2004.6

  2-Keto-3-deoxy-6-phosphogluconate (KDPG) aldolase is a key enzyme in the Entner-Doudoroff pathway of bacteria. It catalyzes the reversible production of KDPG from pyruvate and D-glyceraldehyde 3-phosphate through a class I Schiff base mechanism. On the basis of aldolase mechanistic pathway, various pyruvate analogues bearing beta-diketo structures were designed and synthesized as potential inhibitors. Their capacity to inhibit aldolase catalyzed reaction by forming stabilized iminium ion or conjugated enamine were investigated by enzymatic kinetics and UV-vis difference spectroscopy. Depending of the substituent R (methyl or aromatic ring), a competitive or a slow-binding inhibition takes place. These results were examined on the basis of the three-dimensional structure of the enzyme. (C) 2004 Elsevier Ltd. All rights reserved.