Methylthioharnstoff

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫基化合物
• 英文名称: Methylthioharnstoff
• 英文别名: S-Methylisothiouronium-kation；S-Methylisothiouronium；S-Methyl-isothioharnstoff；(C-methylsulfanylcarbonimidoyl)azanium
• 化学式: C₂H₆N₂S*H
• 分子量: 91.157
• InChiKey: SDDKIZNHOCEXTF-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  5
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.9
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,4,6-三甲基苯磺酰氯 、 Methylthioharnstoff 在 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 以74.2%的产率得到N-[(2,4,6-trimethylphenyl)sulfonyl]-(S)-methylisothiourea
  参考文献：
  名称：

  A Janus-Wedge DNA Triplex with A-W₁-T and G-W₂-C Base Triplets

  摘要：

  A new type of double-stranded DNA targeting format by formation of a Janus-Wedge (J-W) triple helix is described. The "wedge" residue W-1 is used for A-T and T-A base pairs while W-2 is used for G-C and C-G base pairs. Both wedge residues are attached to a PNA backbone that is designed to insert the probe strand into double-stranded DNA and base pair with bothe Watson-Crick faces. To study the stability of such an assembly, we have examined the formation of the J-W triplex with various sequences.

  DOI：

  10.1021/ja804607v

文献信息

• Synthesis and cytotoxic activity of novel 4-amino-5-cyano-2-sulfonylpyrimidines
  作者：Dmitry A. Khochenkov、Yulia A. Khochenkova、Yulia S. Machkova、Rovshan E. Gasanov、Eugenia V. Stepanova、Alexander S. Bunev

  DOI：10.1016/j.mencom.2020.09.017

  日期：2020.9

  Novel 4-amino-5-cyano-2-sulfonylpyrimidines were prepared based on three-component cyclization between isothiouronium salts, benzaldehydes and malononitrile, followed by oxidation of the sulfide moiety with Oxone. The cytotoxic activity of the synthesized compounds, as well as the induction of apoptosis, inhibition of the cell cycle and proliferation tests were performed on selected cancer cell lines A431, A549, A375, HCT 116, MCF7, LNCap and SH-SY5Y.
• A Janus-Wedge DNA Triplex with A-W₁-T and G-W₂-C Base Triplets
  作者：Han Chen、Meena、Larry W. McLaughlin

  DOI：10.1021/ja804607v

  日期：2008.10.8

  A new type of double-stranded DNA targeting format by formation of a Janus-Wedge (J-W) triple helix is described. The "wedge" residue W-1 is used for A-T and T-A base pairs while W-2 is used for G-C and C-G base pairs. Both wedge residues are attached to a PNA backbone that is designed to insert the probe strand into double-stranded DNA and base pair with bothe Watson-Crick faces. To study the stability of such an assembly, we have examined the formation of the J-W triplex with various sequences.