2-(2-吡啶基)-5-嘧啶甲醛 | 954226-94-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-(2-吡啶基)-5-嘧啶甲醛
• 英文名称: 2-Pyridin-2-ylpyrimidine-5-carbaldehyde
• CAS: 954226-94-9
• 化学式: C₁₀H₇N₃O
• 分子量: 185.185
• InChiKey: YKKGUSHYAFNZLB-UHFFFAOYSA-N

物化性质

• 沸点：
  265.7±22.0 °C(Predicted)
• 密度：
  1.267±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-(2-吡啶基)-5-嘧啶甲醛 、 (4aR,4bS,6aS,9aS,9bR,11aR)-1,4a,6a-trimethyl-4a,4b,5,6,6a,8,9,9a,9b,10,11,11a-dodecahydro-1H-indeno[5,4-f]quinoline-2,7-dione 在 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 生成 (2E,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-2-[(2-pyridin-2-ylpyrimidin-5-yl)methylidene]-3a,3b,4,5,5a,9b,10,11-octahydro-3H-indeno[5,4-f]quinoline-1,7-dione
  参考文献：
  名称：

  Design, Synthesis, and Biological Evaluation of 16-Substituted 4-Azasteroids as Tissue-Selective Androgen Receptor Modulators (SARMs)

  摘要：

  A novel series of 16-substiuted-4-azasteroids has been identified as potential tissue-selective androgen receptor modulators. These ligands display potent hAR binding and agonist activity, low virilizing potential,and good pharmacokinetic profiles in dogs. On the basis of its in vitro profile, 21 was evaluated in the OVX and ORX rat models and exhibited all osteoanabolic, tissue-selective profile.

  DOI：

  10.1021/jm900880r

文献信息

• Novel Allosteric Ligands of γ-Aminobutyric Acid Transporter 1 (GAT1) by MS Based Screening of Pseudostatic Hydrazone Libraries
  作者：Tobias J. Hauke、Thomas Wein、Georg Höfner、Klaus T. Wanner

  DOI：10.1021/acs.jmedchem.8b01602

  日期：2018.11.21

  study describes the screening of dynamic combinatorial libraries based on nipecotic acid as core structure with substituents attached to the 5- instead of the common 1-position for the search of novel inhibitors of the GABA transporter GAT1. The generated pseudostatic hydrazone libraries included a total of nearly 900 compounds and were screened for their binding affinities toward GAT1 in competitive mass

  这项研究描述了筛选以菊苣酸为核心结构的动态组合文库的筛选方法，该结构具有取代基附着在5位而不是常见的1位上，以寻找GABA转运蛋白GAT1的新型抑制剂。生成的伪静态文库总共包含近900种化合物，并在基于竞争质谱（MS）的结合试验中筛选了它们对GAT1的结合亲和力。最高亲和力的腙表征（与顺-构型外消旋- 16gf结合和吸收实验中带有一个5-（1-萘基）呋喃-2-基残基和一个最有效的四原子间隔基）揭示了GAT1的变构相互作用，迄今为止尚无关于其他任何尼克酸衍生物的报道。因此，本文引入的5-取代的庚酸衍生物可以用作研究由GAT1介导的变构调节的GABA转运的有价值的工具，并且还可以作为新一类GAT1抑制剂的起点。
• [EN] INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A<br/>[FR] INHIBITEURS CIBLANT LA GRIPPE A PHARMACORÉSISTANTE
  申请人：UNIV PENNSYLVANIA

  公开号：WO2013086131A1

  公开（公告）日：2013-06-13

  Provided are compounds according to formula (la) or (lb) as described herein, that are capable of modulating the activity of influenza viruses (e.g., influenza A virus), for example, via interaction with the M2 transmembrane protein, and other similar viroporins. Also provided are methods for treating an influenza A-affected disease state or infection comprising administering a composition comprising one or more compounds according to according to formulas (la') or (lb), as described herein.

  根据本文描述的公式（la）或（lb），提供了一些化合物，这些化合物能够调节流感病毒（例如流感A病毒）的活性，例如通过与M2跨膜蛋白以及其他类似的病毒孔蛋白相互作用。还提供了一种治疗流感A感染疾病状态或感染的方法，包括通过给予包含根据本文描述的公式（la'）或（lb）的一个或多个化合物的组合物进行治疗。
• INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A
  申请人：THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA

  公开号：US20150191439A1

  公开（公告）日：2015-07-09

  Provided are compounds according to formula (Ia) or (Ib) as described herein, that are capable of modulating the activity of influenza viruses (e.g., influenza A virus), for example, via interaction with the M2 transmembrane protein, and other similar viroporins. Also provided are methods for treating an influenza A-affected disease state or infection comprising administering a composition comprising one or more compounds according to according to formulas (Ia′) or (Ib), as described herein.

  提供了符合公式（Ia）或（Ib）的化合物，可以通过与M2跨膜蛋白和其他类似的病毒孔蛋白相互作用，调节流感病毒（例如流感A病毒）的活性。还提供了一种治疗流感A受影响的疾病状态或感染的方法，包括给予含有一个或多个符合公式（Ia′）或（Ib）的化合物的组合物。
• US9884832B2
  申请人：——

  公开号：US9884832B2

  公开（公告）日：2018-02-06
• Design, Synthesis, and Biological Evaluation of 16-Substituted 4-Azasteroids as Tissue-Selective Androgen Receptor Modulators (SARMs)
  作者：Helen J. Mitchell、William P. Dankulich、George D. Hartman、Thomayant Prueksaritanont、Azriel Schmidt、Robert L. Vogel、Chang Bai、Sheila McElwee-Witmer、Hai Z. Zhang、Fang Chen、Chih-Tai Leu、Donald B. Kimmel、William J. Ray、Pascale Nantermet、Michael A. Gentile、Mark E. Duggan、Robert S. Meissner

  DOI：10.1021/jm900880r

  日期：2009.8.13

  A novel series of 16-substiuted-4-azasteroids has been identified as potential tissue-selective androgen receptor modulators. These ligands display potent hAR binding and agonist activity, low virilizing potential,and good pharmacokinetic profiles in dogs. On the basis of its in vitro profile, 21 was evaluated in the OVX and ORX rat models and exhibited all osteoanabolic, tissue-selective profile.