3-cyano-4,6-di-(2-furyl)-2(1H)pyridinethione | 1028209-00-8

• 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: 3-cyano-4,6-di-(2-furyl)-2(1H)pyridinethione
• 英文别名: 4,6-di-(2-furyl)-2-sulfanylpyridine-3-carbonitrile；4,6-di(furan-2-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile；4,6-bis(furan-2-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
• CAS: 1028209-00-8
• 化学式: C₁₄H₈N₂O₂S
• 分子量: 268.296
• InChiKey: CGAQQQFOQWZLGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  94.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-cyano-4,6-di-(2-furyl)-2(1H)pyridinethione 在 氢氧化钾 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 11.0h， 生成 7,9-di-(2-furyl)pyrido[2',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
  参考文献：
  名称：

  Convenient Synthesis and Antimicrobial Evaluation of Multicyclic Thienopyridines

  摘要：

  Thieno[2,3-b] pyridines 7, 8, and 10 could be obtained via the S-alkylation of 3cyano-4,6-di-2-furyl-2(1H) pyridinethione (3) with a variety of alkylating agents. These compounds were conveniently converted into novel pyrido[3', 2':4,5] thieno[3,2d] pyrimidines 12-15 and 17-20 and thieno[2,3-b; 4,5-b'] dipyridine 11 derivatives. Structures of the products have been determined by elemental analyses and spectral data studies. All the tested compounds were found to exhibit moderate antimicrobial activity.

  DOI：

  10.1080/10426500701501276
• 作为产物：
  描述：

  1,3-di(2-furyl)-2-propen-1-one 、 2-氰基硫代乙酰胺 在 sodium methylate 作用下， 反应 7.0h， 以48%的产率得到3-cyano-4,6-di-(2-furyl)-2(1H)pyridinethione
  参考文献：
  名称：

  Convenient Synthesis and Antimicrobial Evaluation of Multicyclic Thienopyridines

  摘要：

  Thieno[2,3-b] pyridines 7, 8, and 10 could be obtained via the S-alkylation of 3cyano-4,6-di-2-furyl-2(1H) pyridinethione (3) with a variety of alkylating agents. These compounds were conveniently converted into novel pyrido[3', 2':4,5] thieno[3,2d] pyrimidines 12-15 and 17-20 and thieno[2,3-b; 4,5-b'] dipyridine 11 derivatives. Structures of the products have been determined by elemental analyses and spectral data studies. All the tested compounds were found to exhibit moderate antimicrobial activity.

  DOI：

  10.1080/10426500701501276

文献信息

• [EN] ACETYL-COA CARBOXYLASE MODULATORS<br/>[FR] MODULATEURS DE L'ACÉTYL-COA CARBOXYLASE
  申请人：MONSANTO TECHNOLOGY LLC

  公开号：WO2014201326A1

  公开（公告）日：2014-12-18

  Provided herein are compounds that exhibit activity as acetyl-CoA carboxylase modulators (e.g., inhibitors) and are useful, for example, in methods for the control of fungal pathogens in plants.

  本文提供的化合物表现出作为乙酰辅酶A羧化酶调节剂（例如抑制剂）的活性，并且在例如控制植物中真菌病原体的方法中是有用的。
• ACETYL-COA CARBOXYLASE MODULATORS
  申请人：MONSANTO TECHNOLOGY LLC

  公开号：US20160130229A1

  公开（公告）日：2016-05-12

  Provided herein are compounds that exhibit activity as acetyl-CoA carboxylase modulators (e.g., inhibitors) and are useful, for example, in methods for the control of fungal pathogens in plants.

  本文提供了一些化合物，它们表现出作为乙酰辅酶A羧化酶调节剂（例如，抑制剂）的活性，并且在植物中控制真菌病原体的方法中是有用的。
• Design, Synthesis, and Screening of Pyridothieno[3,2-b]indole and Pyridothieno[3,2-c]cinnoline Derivatives as Potential Biologically Active Molecules
  作者：Tatyana A. Stroganova、Vladimir K. Vasilin、Eugeniya A. Kanishcheva、Irina G. Dmitrieva、Viktor V. Taranenko、Roman S. Tumskiy、Anastasiia V. Tumskaia、Nikolay A. Aksenov、Gennady D. Krapivin

  DOI：10.1055/a-1785-7191

  日期：2022.7

  New pyridothieno[3,2-b]indole and pyridothieno[3,2-c]cinnoline derivatives are designed and prepared from the corresponding 3-amino-2-arylthieno[2,3-b]pyridines. By a molecular docking method novel potential inhibitors of DNA gyrase B are identified among the thieno[2,3-b]pyridine derivatives. In addition, some of the prepared pyridothienoindoles exhibit in vivo antidote activity against the herbicide

  设计并制备了新的吡啶并噻吩并[3,2- b ]吲哚和吡啶并噻吩并[3,2- c ]肉桂啉衍生物，由相应的3-氨基-2-芳基噻吩并[2,3- b ]吡啶类化合物制成。通过分子对接方法，在噻吩并[2,3- b ]吡啶衍生物中鉴定出新型潜在的 DNA 促旋酶 B 抑制剂。此外，一些制备的吡啶并噻吩并吲哚在体内表现出对除草剂2,4-D的解毒活性。
• Acetyl-CoA carboxylase modulators
  申请人：Monsanto Technology LLC

  公开号：US10548313B2

  公开（公告）日：2020-02-04

  Provided herein are compounds that exhibit activity as acetyl-CoA carboxylase modulators (e.g., inhibitors) and are useful, for example, in methods for the control of fungal pathogens in plants.

  本文提供的化合物具有乙酰-CoA 羧化酶调节剂（如抑制剂）的活性，可用于植物中真菌病原体的控制方法等。
• US9844218B2
  申请人：——

  公开号：US9844218B2

  公开（公告）日：2017-12-19