4-(1-Methyl-1,2,3,4-tetrahydro-pyrido[2,3-b]pyrazin-6-yl)-butyronitrile | 722549-94-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(1-Methyl-1,2,3,4-tetrahydro-pyrido[2,3-b]pyrazin-6-yl)-butyronitrile
• 英文别名: 4-(1-Methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)butanenitrile；4-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)butanenitrile
• CAS: 722549-94-2
• 化学式: C₁₂H₁₆N₄
• 分子量: 216.286
• InChiKey: DOIHAYWKKZJOST-UHFFFAOYSA-N

物化性质

• 沸点：
  437.6±45.0 °C(Predicted)
• 密度：
  1.104±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(1-Methyl-1,2,3,4-tetrahydro-pyrido[2,3-b]pyrazin-6-yl)-butyronitrile 在 羟胺 作用下， 以 1,4-二氧六环 为溶剂， 生成 3-(Benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(1-methyl-1,2,3,4-tetrahydropyrido[3,2-b]pyrazin-6-yl)propyl)-1,2,4-oxadiazol-5-yl)butanoic acid
  参考文献：
  名称：

  Convergent, parallel synthesis of a series of β-substituted 1,2,4-oxadiazole butanoic acids as potent and selective αvβ3 receptor antagonists

  摘要：

  We describe a series of 1,2,4-oxadiazoles, which are potent antagonists of the integrin alpha(V)beta(3) and, in addition, show selectivity relative to the other beta(3) integrin alpha(IIB)beta(3). In whole cells, the majority of these analogs also demonstrated modest selectivity against other alpha(V), integrins such as alpha(V)beta(1) and alpha(V)beta(6). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.008
• 作为产物：
  描述：

  (9CI)-1,4-二氢-1,6-二甲基吡啶并[2,3-b]吡嗪-3(2H)-酮 在 咪唑 、 氢氧化钾 、 lithium aluminium tetrahydride 、 锂硼氢 、 碘 、 sodium hydride 、 乙二醇 、 三苯基膦 、 lithium diisopropyl amide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-(1-Methyl-1,2,3,4-tetrahydro-pyrido[2,3-b]pyrazin-6-yl)-butyronitrile
  参考文献：
  名称：

  Synthesis of 2,5-thiazole butanoic acids as potent and selective αvβ3 integrin receptor antagonists with improved oral pharmacokinetic properties

  摘要：

  We describe a series of 2,5 thiazole containing compounds, which are potent antagonists of the integrin alpha(V)beta(3) and show selectivity relative to the other integrins, such as alpha(IIB)beta(3) and alpha(V)beta(6). These analogs were demonstrated to have high bioavailability relative to other relative heterocyclic analogs. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.017

文献信息

• [EN] THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES<br/>[FR] COMPOSES DE THIAZOLE EN TANT QUE DERIVES D'ANTAGONISTES DES RECEPTEURS DE L'INTEGRINE
  申请人：PHARMACIA CORP

  公开号：WO2004058760A1

  公开（公告）日：2004-07-15

  The present invention relates to pharmaceutical compositions comprising compounds of the Formula (I), and methods of selectively inhibiting or antagonizing the ανβ3 and/or the ανβ5 integrin without significantly inhibiting the ανβ6 integrin.

  本发明涉及包含式(I)化合物的药物组合物，以及选择性抑制或拮抗ανβ3和/或ανβ5整合素而不显著抑制ανβ6整合素的方法。
• Thiazole compounds as integrin receptor antagonists derivatives
  申请人：Wendt A. John

  公开号：US20050004189A1

  公开（公告）日：2005-01-06

  The present invention relates to a class of compounds represented by the Formula I or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising compounds of the Formula I, and methods of selectively inhibiting or antagonizing the α v β 3 and/or the α v β 5 integrin without significantly inhibiting the α v β 6 integrin.

  本发明涉及一类由式I表示或其药学上可接受的盐所表示的化合物，包括式I化合物的制药组合物，以及选择性抑制或拮抗αvβ3和/或αvβ5整合素而不显著抑制αvβ6整合素的方法。
• Heteroarylalkanoic acids as integrin receptor antagonists derivatives
  申请人：Boys L. Mark

  公开号：US20050043344A1

  公开（公告）日：2005-02-24

  The present invention relates to pharmaceutical compositions comprising compounds of the Formula I, or a pharmaceutically acceptable salt thereof, and methods of selectively inhibiting or antagonizing the α V β 3 and/or the α V β 5 integrin without significantly inhibiting the α V β 6 integrin.

  本发明涉及包含式I的化合物或其药学上可接受的盐的制药组合物，以及选择性地抑制或拮抗αVβ3和/或αVβ5整合素的方法，而不显著抑制αVβ6整合素。
• THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES
  申请人：Pharmacia Corporation

  公开号：EP1572690A1

  公开（公告）日：2005-09-14
• HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS
  申请人：Pharmacia Corporation

  公开号：EP1592421A1

  公开（公告）日：2005-11-09