dimethyl 2-hydroxyfumarate | 129993-73-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: dimethyl 2-hydroxyfumarate
• 英文别名: 2-Butenedioic acid,2-hydroxy-,1,4-dimethyl ester；dimethyl (Z)-2-hydroxybut-2-enedioate
• CAS: 129993-73-3
• 化学式: C₆H₈O₅
• 分子量: 160.127
• InChiKey: BAPVQDFPFGCSEC-ARJAWSKDSA-N

物化性质

• 沸点：
  255.0±40.0 °C(Predicted)
• 密度：
  1.276±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  dimethyl 2-hydroxyfumarate 在 水 、 potassium carbonate 、 溶剂黄146 、 sodium nitrite 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 为溶剂， 反应 13.0h， 生成 (2-acetoxy-ethoxyimino)-[4-((1R,3R,5S)-9-bicyclo[3.3.1]non-3-yl-9-aza-bicyclo[3.3.1]non-3-yl)-3-oxo-3,4-dihydro-quinoxalin-2-yl]acetic acid methyl ester
  参考文献：
  名称：

  OXIME-SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF

  摘要：

  本公开涉及氧肟取代的喹喔啉型哌啶化合物，例如公式（I）中的化合物及其药用可接受的盐和溶剂化合物，其中R1、R2、R3、R4、R20、R21、Q、Y1、Z、A、B和a如本文所定义；包含有效量氧肟取代的喹喔啉型哌啶化合物的组合物，以及治疗或预防疾病的方法，例如疼痛，包括向需要治疗的动物施用有效量的氧肟取代的喹喔啉型哌啶化合物。

  公开号：

  US20140187544A1
• 作为产物：
  描述：

  DL-苹果酸二甲酯 、 丁炔二酸二甲酯 生成 dimethyl 2-hydroxyfumarate
  参考文献：
  名称：

  Flint Dennis H., McKay Richard G., J. Amer. Chem. Soc, 116 (1994) N 13, S 5534-5539

  摘要：

  DOI：

文献信息

• 6-(4-HYDROXY-PHENYL)-3-STYRYL-1H-PYRAZOLO[3,4-b]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS
  申请人：LOEHN Matthias

  公开号：US20130065894A1

  公开（公告）日：2013-03-14

  The present invention relates to pyrazolo[3,4-b]pyridine compounds of the formula I, in which R 1 , R 2 , R 3 , R 4 and R 5 are defined as indicated below. The compounds of the formula I are kinase inhibitors, and are useful for the treatment of diseases associated with diabetes and diabetic complications, such as, diabetic nephropathy, diabetic neuropathy and diabetic retinopathy, for example. The invention furthermore relates to the use of compounds of the formula I, in particular as active ingredients in pharmaceuticals, and pharmaceutical compositions comprising them.

  本发明涉及式I的吡唑啉[3,4-b]吡啶化合物，其中R1、R2、R3、R4和R5如下所示。式I的化合物是激酶抑制剂，可用于治疗与糖尿病及糖尿病并发症相关的疾病，如糖尿病肾病、糖尿病神经病变和糖尿病视网膜病变等。此外，该发明还涉及式I的化合物的用途，特别是作为药物中的活性成分，以及包含它们的药物组合物。
• [EN] 6-(4-HYDROXY-PHENYL)-3-STYRYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS AMIDES D'ACIDE 6-(4-HYDROXYPHÉNYL)-3-STYRYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIQUE EN TANT QU'INHIBITEURS DE KINASE
  申请人：SANOFI SA

  公开号：WO2013037390A1

  公开（公告）日：2013-03-21

  The present invention relates to pyrazolo[3,4-b]pyridine compounds of the formula I, in which R1, R2, R3, R4 and R5 are defined as indicated below. The compounds of the formula I are kinase inhibitors, and are useful for the treatment of diseases associated with diabetes and diabetic complications, such as, diabetic nephropathy, diabetic neuropathy and diabetic retinopathy, for example. The invention furthermore relates to the use of compounds of the formula I, in particular as active ingredients in pharmaceuticals, and pharmaceutical compositions comprising them.

  本发明涉及具有以下式I的吡唑并[3,4-b]吡啶化合物，其中R1、R2、R3、R4和R5如下所示。式I的化合物是激酶抑制剂，可用于治疗与糖尿病及糖尿病并发症相关的疾病，例如糖尿病肾病、糖尿病神经病变和糖尿病视网膜病变等。此外，该发明还涉及将式I的化合物用作药物中的活性成分，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：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。
• OXIME-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AS ORL-1 MODULATORS
  申请人：Purdue Pharma L.P.

  公开号：US20150238485A1

  公开（公告）日：2015-08-27

  The present disclosure relates to Oxime-Substituted Quinoxaline-Type Piperidine Compounds, such as those of Formula (I): and the pharmaceutically acceptable salts and solvates thereof, wherein R 1 , R 2 , R 3 , R 4 , R 20 , R 21 , Q, Y 1 , Z, A, B, and a are as defined herein; compositions comprising an effective amount of an Oxime-Substituted Quinoxaline-Type Piperidine Compound, and methods to treat or prevent a condition, such as pain, comprising administering to an animal in need thereof an effective amount of an Oxime-Substituted Quinoxaline-Type Piperidine Compound.

  本公开涉及肟取代的喹噁啉型哌啶化合物，例如式（I）中的化合物及其药学上可接受的盐和溶剂化合物，其中R1、R2、R3、R4、R20、R21、Q、Y1、Z、A、B和a如本文所定义；包含有效量肟取代的喹噁啉型哌啶化合物的组合物，以及治疗或预防疾病（如疼痛）的方法，包括向需要治疗的动物中有效量的肟取代的喹噁啉型哌啶化合物。
• 6-(4-Hydroxy-phenyl)-3-styryl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors
  申请人：SANOFI

  公开号：EP2567959A1

  公开（公告）日：2013-03-13

  The present invention relates to pyrazolo[3,4-b]pyridine compounds of the formula, in which R1, R2, R3, R4 and R5 are defined as indicated below. The compounds of the formula are kinase C (PKC) inhibitors, and are useful for the treatment of diseases associated with diabetes and diabetic complications, such as, diabetic nephropathy, diabetic neuropathy and diabetic retinopathy, for example. The invention furthermore relates to the use of compounds of the formula, in particular as active ingredients in pharmaceuticals, and pharmaceutical compositions comprising them.

  本发明涉及式中的吡唑并[3,4-b]吡啶化合物、 其中 R1、R2、R3、R4 和 R5 的定义如下所示。式中化合物是激酶 C (PKC) 抑制剂，可用于治疗与糖尿病和糖尿病并发症有关的疾病，例如糖尿病肾病、糖尿病神经病变和糖尿病视网膜病变。本发明还涉及式化合物的用途，特别是作为药物的活性成分，以及包含它们的药物组合物。