2,5-di-tert-butyl-4-cyanopyridine | 74808-76-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2,5-di-tert-butyl-4-cyanopyridine
• 英文别名: 2,5-Ditert-butylpyridine-4-carbonitrile；2,5-ditert-butylpyridine-4-carbonitrile
• CAS: 74808-76-7
• 化学式: C₁₄H₂₀N₂
• 分子量: 216.326
• InChiKey: SLDFPOCVIWMISK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-叔丁基-4-氰基吡啶 、 三甲基乙酸 在 dipotassium peroxodisulfate 、 硫酸 、 copper diacetate 、 silver nitrate 作用下， 以 水 为溶剂， 以52.1%的产率得到2,6-di-tert-butyl-4-cyanopyridine
  参考文献：
  名称：

  Nucleophilic character of the alkyl radicals. 19. 1a Absolute rate constants in the homolytic alkylation of protonated heteroaromatic bases by n-butyl and tert-butyl radicals

  摘要：

  DOI：

  10.1021/jo01311a039

文献信息

• Inhibitors of NEK7 kinase
  申请人：Halia Therapeutics, Inc.

  公开号：US11161852B1

  公开（公告）日：2021-11-02

  Compounds having activity as inhibitors of NEK7 are provided. The compounds have Structure (I): or a pharmaceutically acceptable salt, stereoisomer or prodrug thereof, wherein, A, X, Y, R1, R2, R3, R4 and R5 are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of the NLRP3 inflammasome are also provided.

  提供具有作为NEK7抑制剂活性的化合物。这些化合物具有结构（I）：或其药用可接受的盐、立体异构体或前药，其中，A、X、Y、R1、R2、R3、R4和R5如本文所定义。还提供了与制备和使用这些化合物相关的方法，包括含有这些化合物的药物组合物以及调节NLRP3炎症小体活性的方法。
• Radical generation enabled by photoinduced N–O bond fragmentation
  作者：Edward J. McClain、Alan K. Wortman、Corey R. J. Stephenson

  DOI：10.1039/d2sc02953g

  日期：——

  Recent advances in synthetic chemistry have seen a resurgence in the development of methods for visible light-mediated radical generation. Herein, we report the development of a photoactive ester based on a quinoline N-oxide core structure, that provides a strong oxidant in its excited state. The heteroaromatic N-oxide provides access to primary, secondary, and tertiary radical intermediates, and its

  合成化学的最新进展见证了可见光介导的自由基生成方法的重新开发。在此，我们报告了基于喹啉N-氧化物核心结构的光活性酯的开发，该酯在激发态下提供强氧化剂。杂芳族N-氧化物提供了获得伯、仲和叔自由基中间体的途径，并且报道了其在光化学 Minisci 烷基化开发中的应用。
• INHIBITORS OF NEK7 KINASE
  申请人：Halia Therapeutics, Inc.

  公开号：US20210355130A1

  公开（公告）日：2021-11-18

  Compounds having activity as inhibitors of NEK7 are provided. The compounds have Structure (I): or a pharmaceutically acceptable salt, stereoisomer or prodrug thereof, wherein, A, X, Y, R 1 , R 2 , R 3 , R 4 and R 5 are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of the NLRP3 inflammasome are also provided.
• Nucleophilic character of the alkyl radicals. 19. 1a Absolute rate constants in the homolytic alkylation of protonated heteroaromatic bases by n-butyl and tert-butyl radicals
  作者：Attilio Citterio、Francesco Minisci、Valeria Franchi

  DOI：10.1021/jo01311a039

  日期：1980.11