2-Thioxo-5-aethyl-3-benzyl-tetrahydro-1,3,5-thiadiazin | 23515-00-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻二嗪类
• 英文名称: 2-Thioxo-5-aethyl-3-benzyl-tetrahydro-1,3,5-thiadiazin
• 英文别名: 2-Thio-3-benzyl-5-aethyl-tetrahydro-1,3,5-thiadiazin；3-benzyl-5-ethyl-[1,3,5]thiadiazinane-2-thione；3-Benzyl-5-ethyl-1,3,5-thiadiazinane-2-thione
• CAS: 23515-00-6
• 化学式: C₁₂H₁₆N₂S₂
• mdl: MFCD01681897
• 分子量: 252.404
• InChiKey: DJCAGMWMFPMXHO-UHFFFAOYSA-N

物化性质

• 溶解度：
  37.5 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  63.9
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为产物：
  描述：

  二硫化碳 、 聚合甲醛 、 乙胺 、 苄胺 生成 2-Thioxo-5-aethyl-3-benzyl-tetrahydro-1,3,5-thiadiazin
  参考文献：
  名称：

  Neue Verbindungen mit bakterizider, fungizider und das Wachstum von Viren hemmender Wirkung I. 2-Thio-tetrahydro-1,3,5-thiadiazine („Carbothialdine”) und dithiocarbaminsaure Salze

  摘要：

  DOI：

  10.1002/ardp.19602931102

文献信息

• Neue Verbindungen mit bakterizider, fungizider und das Wachstum von Viren hemmender Wirkung I. 2-Thio-tetrahydro-1,3,5-thiadiazine („Carbothialdine”) und dithiocarbaminsaure Salze
  作者：A. Rieche、G. Hilgetag、A. Martini、O. Nejedly、J. Schlegel

  DOI：10.1002/ardp.19602931102

  日期：——
• Prodrug antibiotic screens
  申请人：Lewis Kim

  公开号：US20080027044A1

  公开（公告）日：2008-01-31

  Methods for identifying prodrug activity utilizing screens with microbial mutants, including null and conditional mutants, transiently gene-repressed microbes, and gene-overexpressing microbes, as well as pooled collections of these are provided. Effective prodrug antibiotics differentially kill or inhibit microbes overexpressing prodrug activating genes and allow non-expressing strains to grow and be readily identified. Methods for detecting prodrug antibiotic activity by detecting a lack of differential sensitivity of multidrug efflux mutant or deficient strains are also provided. Novel pharmaceutical compounds identified by the methods of the invention, pharmaceutical formulations, and methods for treating an infection comprising administering to a subject in need thereof an effective amount of a Compound of the Invention are also provided.
• Shah,I.D.; Trivedi,J.P., Journal of the Indian Chemical Society, 1964, vol. 41, p. 225 - 227
  作者：Shah,I.D.、Trivedi,J.P.

  DOI：——

  日期：——