methyl 2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetate | 1005640-17-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetate
• 英文别名: 3-methyl-4-nitropyrazol-1-ylacetic acid methyl ester；methyl (3-methyl-4-nitro-1H-pyrazol-1-yl)acetate；methyl 2-(3-methyl-4-nitropyrazol-1-yl)acetate
• CAS: 1005640-17-4
• 化学式: C₇H₉N₃O₄
• mdl: MFCD04967344
• 分子量: 199.166
• InChiKey: HSDMJNVKZOKGSY-UHFFFAOYSA-N

物化性质

• 沸点：
  321.7±32.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  89.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetate 在 lithium aluminium tetrahydride 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 生成 2-(4-amino-3-methyl-pyrazol-1-yl)ethanol
  参考文献：
  名称：

  [EN] 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES
  [FR] DÉRIVÉS DE LA 1H-IMIDAZO[4,5-C]QUINOLINONE

  摘要：

  该发明涉及在蛋白质和/或脂质激酶依赖性疾病的治疗中使用1H-咪唑并[4,5-c]喹啉酮衍生物及其盐，并用于制备用于治疗该等疾病的药物制剂；用于治疗蛋白质和/或脂质激酶依赖性疾病的1H-咪唑并[4,5-c]喹啉酮衍生物；一种治疗上述疾病的方法，包括向温血动物，特别是人类，施用1H-咪唑并[4,5-c]喹啉酮衍生物；包括1H-咪唑并[4,5-c]喹啉酮衍生物的药物制剂，特别用于治疗蛋白质和/或脂质激酶依赖性疾病；新颖的1H-咪唑并[4,5-c]喹啉酮衍生物；以及制备新颖的1H-咪唑并[4,5-c]喹啉酮衍生物的方法。

  公开号：

  WO2010139731A1
• 作为产物：
  描述：

  溴乙酸甲酯 、 3-甲基-4-硝基吡唑 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 methyl 2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetate 、 methyl 2-(5-methyl-4-nitro-1H-pyrazol-1-yl)acetate
  参考文献：
  名称：

  Discovery of Highly Potent, Selective, and Brain-Penetrant Aminopyrazole Leucine-Rich Repeat Kinase 2 (LRRK2) Small Molecule Inhibitors

  摘要：

  Leucine-rich repeat kinase 2 (LRRK2) has drawn significant interest in the neuroscience research community because it is one of the most compelling targets for a potential disease-modifying Parkinson's disease therapy. Herein, we disclose structurally diverse small molecule inhibitors suitable for assessing the implications of sustained in vivo LARK2 inhibition. Using previously reported aminopyrazole 2 as a lead molecule, we were able to engineer structural modifications in the solvent-exposed region of the ATP-binding site that significantly improve human hepatocyte stability, rat free brain exposure, and CYP inhibition and induction liabilities. Disciplined application of established optimal CNS design parameters culminated in the rapid identification of GNE-0877 (11) and GNE-9605 (20) as highly potent and selective LRRK2 inhibitors. The demonstrated metabolic stability, brain penetration across multiple species, and selectivity of these inhibitors support their use in preclinical efficacy and safety studies.

  DOI：

  10.1021/jm401654j

文献信息

• 1H-imidazo[4,5-c]quinolinone derivatives
  申请人：Furet Pascal

  公开号：US08476294B2

  公开（公告）日：2013-07-02

  The invention relates to the use of 1H-imidazo[4,5-c]quinolinone derivatives and salts thereof in the treatment of protein and/or lipid kinase dependent diseases and for the manufacture of pharmaceutical preparations for the treatment of said diseases; 1H-imidazo[4,5-c]quinolinone derivatives for use in the treatment of protein and/or lipid kinase dependent diseases; a method of treatment against said diseases, comprising administering the 1H-imidazo[4,5-c]quinolinone derivatives to a warm-blooded animal, especially a human; pharmaceutical preparations comprising an 1H-imidazo[4,5-c]quinolinone derivative, especially for the treatment of a protein and/or lipid kinase dependent disease; novel 1H-imidazo[4,5-c]quinolinone derivatives; and a process for the preparation of the novel 1H-imidazo[4,5-c]quinolinone derivatives.

  本发明涉及使用1H-咪唑[4,5-c]喹啉酮衍生物及其盐治疗蛋白质和/或脂质激酶依赖性疾病，以及用于制造治疗该等疾病的药物制剂；1H-咪唑[4,5-c]喹啉酮衍生物用于治疗蛋白质和/或脂质激酶依赖性疾病；一种治疗上述疾病的方法，包括向温血动物，特别是人类，给予1H-咪唑[4,5-c]喹啉酮衍生物；包含1H-咪唑[4,5-c]喹啉酮衍生物的药物制剂，特别用于治疗蛋白质和/或脂质激酶依赖性疾病；新颖的1H-咪唑[4,5-c]喹啉酮衍生物；以及制备新颖的1H-咪唑[4,5-c]喹啉酮衍生物的方法。
• 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES
  申请人：Furet Pascal

  公开号：US20140005163A1

  公开（公告）日：2014-01-02

  The invention relates to the use of 1H-imidazo[4,5-c]quinolinone derivatives and salts thereof in the treatment of protein and/or lipid kinase dependent diseases and for the manufacture of pharmaceutical preparations for the treatment of said diseases; 1H-imidazo[4,5-c]quinolinone derivatives for use in the treatment of protein and/or lipid kinase dependent diseases; a method of treatment against said diseases, comprising administering the 1H-imidazo[4,5-c]quinolinone derivatives to a warm-blooded animal, especially a human; pharmaceutical preparations comprising an 1H-imidazo[4,5-c]quinolinone derivative, especially for the treatment of a protein and/or lipid kinase dependent disease; novel 1H-imidazo[4,5-c]quinolinone derivatives; and a process for the preparation of the novel 1H-imidazo[4,5-c]quinolinone derivatives.

  本发明涉及使用1H-咪唑[4,5-c]喹啉酮衍生物及其盐治疗蛋白质和/或脂质激酶依赖性疾病，并用于制备治疗该类疾病的药物制剂；使用1H-咪唑[4,5-c]喹啉酮衍生物治疗蛋白质和/或脂质激酶依赖性疾病；一种治疗该类疾病的方法，包括向温血动物，特别是人类，给予1H-咪唑[4,5-c]喹啉酮衍生物；包含1H-咪唑[4,5-c]喹啉酮衍生物的药物制剂，特别用于治疗蛋白质和/或脂质激酶依赖性疾病；新型1H-咪唑[4,5-c]喹啉酮衍生物；以及制备新型1H-咪唑[4,5-c]喹啉酮衍生物的方法。
• 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES
  申请人：FURET Pascal

  公开号：US20100317657A1

  公开（公告）日：2010-12-16

  The invention relates to the use of 1H-imidazo[4,5-c]quinolinone derivatives and salts thereof in the treatment of protein and/or lipid kinase dependent diseases and for the manufacture of pharmaceutical preparations for the treatment of said diseases; 1H-imidazo[4,5-c]quinolinone derivatives for use in the treatment of protein and/or lipid kinase dependent diseases; a method of treatment against said diseases, comprising administering the 1H-imidazo[4,5-c]quinolinone derivatives to a warm-blooded animal, especially a human; pharmaceutical preparations comprising an 1H-imidazo[4,5-c]quinolinone derivative, especially for the treatment of a protein and/or lipid kinase dependent disease; novel 1H-imidazo[4,5-c]quinolinone derivatives; and a process for the preparation of the novel 1H-imidazo[4,5-c]quinolinone derivatives.

  本发明涉及使用1H-咪唑[4,5-c]喹啉酮衍生物及其盐在治疗蛋白质和/或脂质激酶依赖性疾病和制造治疗该类疾病的药物制剂；1H-咪唑[4,5-c]喹啉酮衍生物用于治疗蛋白质和/或脂质激酶依赖性疾病；一种治疗上述疾病的方法，包括向温血动物，特别是人类，给予1H-咪唑[4,5-c]喹啉酮衍生物；包括1H-咪唑[4,5-c]喹啉酮衍生物的药物制剂，特别用于治疗蛋白质和/或脂质激酶依赖性疾病；新型1H-咪唑[4,5-c]喹啉酮衍生物；以及制备新型1H-咪唑[4,5-c]喹啉酮衍生物的方法。