2,3-dihydro-5-methyl-2-oxo-1H-imidazole-4-carboxylic acid 1,1-dimethylethyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,3-dihydro-5-methyl-2-oxo-1H-imidazole-4-carboxylic acid 1,1-dimethylethyl ester
• 英文别名: 1,1-Dimethylethyl 2,3-Dihydro-5-methyl-2-oxo-1H-imidazole-4-carboxylate；5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid tert-butyl ester；tert-butyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate；tert-butyl 5-methyl-2-oxo-1,3-dihydroimidazole-4-carboxylate
• 化学式: C₉H₁₄N₂O₃
• 分子量: 198.222
• InChiKey: OPOHUNOHANROOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3-dihydro-5-methyl-2-oxo-1H-imidazole-4-carboxylic acid 1,1-dimethylethyl ester 以 水 、 三氟乙酸 为溶剂， 生成 2,3-二氢-5-甲基-2-氧代-1H-咪唑-4-羧酸
  参考文献：
  名称：

  Cardiotonic 1,3-dihydro-4-[[(imidazol-1-yl)aryl]carbonyl]imidazol-2-ones

  摘要：

  本发明提供了一种具有心血管特性的新型咪唑酮酰基芳基咪唑类化合物，特别是作为治疗充血性心力衰竭的强心剂。本发明还提供了含有这种化合物的药物制剂。此外，本发明还公开了一种制备这种化合物和其中间体的新方法。

  公开号：

  US04556665A1
• 作为产物：
  描述：

  tert-butyl (E)-2-(hydroxyimino)-3-oxobutanoate 生成 2,3-dihydro-5-methyl-2-oxo-1H-imidazole-4-carboxylic acid 1,1-dimethylethyl ester
  参考文献：
  名称：

  SCHNETTLER, R. A.;DAGE, R. C.;GRISAR, M. Y.

  摘要：

  DOI：

文献信息

• Cardiotonic imidazolecarboxylic acid derivatives
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US04418071A1

  公开（公告）日：1983-11-29

  The use of novel imidazolecarboxylic acid derivatives of the following general structure which are useful as antihypertensives, cardiotonics and antithrombotics ##STR1## wherein Q and T are an oxygen or sulfur atom; R is hydrogen, lower alkyl, lower alkylcarbonyl or benzoyl; R.sub.1 is hydrogen or --CH(R.sub.3)R.sub.4 ; R2 is lower alkoxy, phenoxy or phenoxy substituted at the ortho, meta, or para position with lower alkyl, lower alkoxy, hydroxy, halogen, trifluoromethyl, lower alkylthio, lower alkylsulfone, or lower alkylsulfoxide; R.sub.3 is hydrogen or lower alkyl; R.sub.4 is hydrogen, hydroxy, lower alkoxy, lower alkylcarbonyl, --ONO.sub.2 or halogen; and their pharmaceutically acceptable salts thereof.

  以下是翻译结果： 具有以下一般结构的新型咪唑羧酸衍生物的使用，这些衍生物可用作降压药、心力衰竭药和抗血栓药，其中Q和T为氧或硫原子；R为氢、较低烷基、较低烷基羰基或苯甲酰基；R.sub.1为氢或--CH(R.sub.3)R.sub.4；R2为较低烷氧基、苯氧基或在邻位、间位或对位用较低烷基、较低烷氧基、羟基、卤素、三氟甲基、较低烷基硫基、较低烷基砜基或较低烷基亚砜基取代的苯氧基；R.sub.3为氢或较低烷基；R.sub.4为氢、羟基、较低烷氧基、较低烷基羰基、--ONO.sub.2或卤素；以及它们的药用盐。
• Substituted 1,3-dihydro-imidazol-2-one and 1,3-dihydro-imidazol-2-thione derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE)
  申请人：Sheppeck James

  公开号：US20050075384A1

  公开（公告）日：2005-04-07

  The present invention describes novel 1,3-dihydro-imidazol-2-one or 1,3-dihydro-imidazol-2-thione compounds of formula (I): or a stereoisomer or pharmaceutically acceptable salt or solvate thereof, wherein A, L R 1 , R 2 , R 3 and R 4 are defined in the present specification, which are useful as selective inhibitors of MMP, TACE, aggrecanase or a combination thereof. This invention also relates to pharmaceutical compositions comprising these compounds and methods of using the same.

  本发明描述了新颖的1,3-二氢咪唑-2-酮或1,3-二氢咪唑-2-硫酮化合物，化学式为（I）：或其立体异构体或药学上可接受的盐或溶剂，其中A、L、R1、R2、R3和R4在本说明中有定义，这些化合物可用作MMP、TACE、聚集素酶或其组合的选择性抑制剂。本发明还涉及包含这些化合物的药物组合物以及使用这些药物的方法。
• Process for the preparation of imidazolonecarbonylarylimidazoles
  申请人：Schering A.G.

  公开号：US04709043A1

  公开（公告）日：1987-11-24

  Novel imidazolonecarbonylarylimidazoles are described having cardiovascular properties, especially as cardiotonic agents in the treatment of congestive heart failure. Pharmaceutical formulations containing such compounds are also provided. Further, a novel process for the preparation of the compounds and intermediates useful thereto of this invention is disclosed.

  本发明描述了具有心血管特性的新型咪唑烷酰基芳基咪唑，特别是作为治疗充血性心力衰竭的心脏强效药物。此外，还提供了含有这种化合物的制药配方。此外，还揭示了一种制备该化合物和中间体的新方法。
• Imidazolecarboxylic acid derivatives
  申请人：MERRELL DOW PHARMACEUTICALS INC.

  公开号：EP0078545A1

  公开（公告）日：1983-05-11

  The use of novel imidazolecarboxylic acid derivatives of the following general structure which are useful as antihypertensives, cardiotonics and antithrombotics wherein Q and T are an oxygen or sulfur atom; R is hydrogen, lower alkyl, lower alkylcarbonyl or benzoyl; R1 is hydrogen or -CH(R3)R4; R2 is lower alkoxy, phenoxy or phenoxy substituted at the ortho, meta, or para position with lower alkyl, lower alkoxy, hydroxy, halogen, trifluoromethyl, lower alkylthio, lower alkylsulfone, or lower alkylsulfoxide; R3 is hydrogen or lower alkyl; R4 is hydrogen, hydroxy, lower alkoxy, lower alkylcarbonyl, -ON02 or halogen; and their pharmaceutically acceptable salts thereof.

  使用具有以下一般结构的新型咪唑羧酸衍生物，可用作抗高血压药、强心剂和抗血栓药 其中 Q 和 T 是氧原子或硫原子；R 是氢、低级烷基、低级烷基羰基或苯甲酰基；R1 是氢或-CH(R3)R4；R2 是低级烷氧基、苯氧基或在正位、偏位或对位被低级烷基、低级烷氧基、羟基、卤素、三氟甲基、低级烷硫基、低级烷基砜或低级烷基亚砜取代的苯氧基；R3 是氢或低级烷基；R4 是氢、羟基、低级烷氧基、低级烷基羰基、-ON02 或卤素；及其药学上可接受的盐。
• Imidazolonecarbonylarylimidazoles; method of manufacture, method of use and compositions useful thereof
  申请人：SCHERING AKTIENGESELLSCHAFT

  公开号：EP0169164B1

  公开（公告）日：1990-01-31