4-methyl-2,6-dioxo-4-propylpiperidine-3,5-dicarbonitrile | 64635-91-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-methyl-2,6-dioxo-4-propylpiperidine-3,5-dicarbonitrile
• 英文别名: 4-methyl-2,6-dioxo-4-propyl-piperidine-3,5-dicarbonitrile；4-Methyl-2,6-dioxo-4-propyl-piperidin-3,5-dicarbonitril；2,4-dicyano-3-methyl-3-n-propylglutarimide；2,4-Dicyano-3-methyl-3-propylglutarimide
• CAS: 64635-91-2
• 化学式: C₁₁H₁₃N₃O₂
• 分子量: 219.243
• InChiKey: QZTFQQBYBVMLFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  93.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-methyl-2,6-dioxo-4-propylpiperidine-3,5-dicarbonitrile 在 硫酸 、 水 作用下， 以77%的产率得到3-methyl-3-propyl-glutaric acid
  参考文献：
  名称：

  Geminate-substituted cyclopentadienes. 1. Synthesis of 5,5-dialkylcyclopentadienes via 4,4-dialkylcyclopent-2-en-1-ones

  摘要：

  DOI：

  10.1021/jo00347a013
• 作为产物：
  描述：

  2-戊酮 在 乙酸铵 、 乙醇 、 sodium 、 溶剂黄146 作用下， 以 苯 为溶剂， 反应 47.25h， 生成 4-methyl-2,6-dioxo-4-propylpiperidine-3,5-dicarbonitrile
  参考文献：
  名称：

  Geminate-substituted cyclopentadienes. 1. Synthesis of 5,5-dialkylcyclopentadienes via 4,4-dialkylcyclopent-2-en-1-ones

  摘要：

  DOI：

  10.1021/jo00347a013

文献信息

• Heteroarylakanoic acids as intergrin receptor antagonists
  申请人：——

  公开号：US20040092497A1

  公开（公告）日：2004-05-13

  The present invention relates to a class of compounds represented by formula (I) or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising compounds of Formula (I), and methods of selectively antagonizing the &agr;&ngr;&bgr; 3 and/or the &agr;&ngr;&bgr; 5 integrin without significantly antagonizing the IIb/IIIa integrin. 1

  本发明涉及一类由式（I）表示的化合物或其药学上可接受的盐、包含式（I）化合物的制药组合物以及选择性拮抗&agr;&ngr;&bgr;3和/或&agr;&ngr;&bgr;5整合素而不显著拮抗IIb/IIIa整合素的方法。
• Heteroarylalkanoic acids as integrin receptor antagonists
  申请人：——

  公开号：US20020133023A1

  公开（公告）日：2002-09-19

  The present invention relates to a class of compounds represented by the Formula I 1 or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising compounds of the Formula I, and methods of selectively antagonizing the &agr; V &bgr; 3 and/or the &agr; V &bgr; 5 integrin without significantly antagonizing the IIb/IIIa or &agr; V &bgr; 6 integrin.

  本发明涉及一类由式I1表示的化合物或其药学上可接受的盐，包括式I的药物组合物，并且涉及一种选择性拮抗&agr;V&bgr;3和/或&agr;V&bgr;5整合素而不显著拮抗IIb/IIIa或&agr;V&bgr;6整合素的方法。
• Synthesis, Pharmacological Characterization, and Quantitative Structure−Activity Relationship Analyses of 3,7,9,9-Tetraalkylbispidines:  Derivatives with Specific Bradycardic Activity
  作者：Uwe Schön、Jochen Antel、Reinhard Brückner、Josef Messinger、Rainer Franke、Andreas Gruska

  DOI：10.1021/jm970120q

  日期：1998.1.1

  A series of 3,7,9,9-tetraalkyl-3,7-diazabicyclo[3.3.1]nonane derivatives (bispidines) was synthesized and identified as potential antiischemic agents. Pharmacological experiments in vitro as well as in vivo are described, and the results are listed. For selection of those compounds fitting best to the desired profile of a specific bradycardic antianginal agent-decrease in heart rate without affecting contractility and blood pressure-these results were scored and ranked. Quantitative structure-activity relationship (QSAR) analyses were performed and discussed a posteriori by means of Hansch, nonelementary discriminant and factor analysis to get insight into the molecular features determining the biological profile. Highly significant equations were obtained, indicating hydrophobic and steric effects. Both pharmacological ranking and QSAR considerations showed compound 6 as the optimum within the structural class under investigation. Compound 6 (tedisamil, KC8857) has been selected as the most promising compound and was chosen for further pharmacological and clinical investigations as an antiischemic drug.
• Alkyl Radical Generation in Water under Ambient Conditions— A New Look at the Guareschi Reaction of 1897
  作者：Bao Nguyen、Katya Chernous、Daniel Endlar、Barbara Odell、Michela Piacenti、John M. Brown、Alexander S. Dorofeev、Alexander V. Burasov

  DOI：10.1002/anie.200700632

  日期：2007.10.8
• Benica; Wilson, Journal of the American Pharmaceutical Association (1912), 1950, vol. 39, p. 451,453
  作者：Benica、Wilson

  DOI：——

  日期：——