2-Cyanomethylsulfanyl-isonicotinonitrile | 256657-48-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-Cyanomethylsulfanyl-isonicotinonitrile
• 英文别名: 2-Cyanomethylthiopyridine-4-carbonitrile；2-(cyanomethylsulfanyl)pyridine-4-carbonitrile
• CAS: 256657-48-4
• 化学式: C₈H₅N₃S
• mdl: MFCD28341007
• 分子量: 175.214
• InChiKey: XEXYEOSXRKMYHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  85.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Cyanomethylsulfanyl-isonicotinonitrile 在 吡啶 、 硫化氢 、 三乙胺 作用下， 以90%的产率得到2-Thiocarbamoylmethylsulfanyl-thioisonicotinamide
  参考文献：
  名称：

  New pyridine derivatives as potential antimicrobial agents

  摘要：

  A set of pyridine derivatives bearing a substituted alkylthio chain or a piperidyl ring in position 2 or 4 were synthesized, and their antimycobacterial and antifugal activities were evaluated. Chemical structures were confirmed by IR and NMR data, and by elemental analysis. Minimum inhibitory concentrations (MIC) were used for the evaluation of microbiological activity in vitro. The compounds were moderately active against both Mycobacterium tuberculosis and nontuberculous mycobacteria. The most active compound was 2-cyanomethylthiopyridine-4-carbonitrile (7) with MTC against Mycobacterium kansasii in the range of 8-4 mu mol/l. The antifungal activities of the compounds were relatively low. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00078-6
• 作为产物：
  描述：

  2-氯-4-氰基吡啶 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.33h， 生成 2-Cyanomethylsulfanyl-isonicotinonitrile
  参考文献：
  名称：

  New pyridine derivatives as potential antimicrobial agents

  摘要：

  A set of pyridine derivatives bearing a substituted alkylthio chain or a piperidyl ring in position 2 or 4 were synthesized, and their antimycobacterial and antifugal activities were evaluated. Chemical structures were confirmed by IR and NMR data, and by elemental analysis. Minimum inhibitory concentrations (MIC) were used for the evaluation of microbiological activity in vitro. The compounds were moderately active against both Mycobacterium tuberculosis and nontuberculous mycobacteria. The most active compound was 2-cyanomethylthiopyridine-4-carbonitrile (7) with MTC against Mycobacterium kansasii in the range of 8-4 mu mol/l. The antifungal activities of the compounds were relatively low. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00078-6

文献信息

• FMO3 inhibitors for treating pain
  申请人：Akron Molecules GmbH

  公开号：EP2674161A1

  公开（公告）日：2013-12-18

  The present invention relates to new therapies to treat pain and related diseases, as well as pharmaceutical compounds for use in said therapies.

  本发明涉及治疗疼痛和相关疾病的新疗法，以及用于上述疗法的药物化合物。
• COMPOUNDS AND METHODS FOR TREATING PAIN
  申请人：Akron Molecules GmbH

  公开号：EP2637649A2

  公开（公告）日：2013-09-18
• USE OF COMPOUNDS FOR THE TREATMENT OF PAIN
  申请人：Akron Molecules AG

  公开号：EP2846788A1

  公开（公告）日：2015-03-18
• Compounds and Methods for Treating Pain
  申请人：Penninger Josef

  公开号：US20130252924A1

  公开（公告）日：2013-09-26

  The present invention relates to new therapies to treat pain and related diseases, as well as pharmaceutical compounds for use in said therapies.
• ENVIRONMENTALLY FRIENDLY FORMULATIONS FOR BI-COMPONENT HETEROCYCLIC SCHIFF BASE TEXTILE FINISHES
  申请人：Government of the United States as Represented by the Secretary of the Air Force

  公开号：US20160366888A1

  公开（公告）日：2016-12-22

  An environmentally friendly, antimicrobial solution. The antimicrobial solution includes a first biocide comprising a compound having at least one Schiff base, an organic acid, a second biocide, and water.