potassium salt of 1-methyl-2-mercaptoimidazole | 96592-02-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: potassium salt of 1-methyl-2-mercaptoimidazole
• 英文别名: potassium 2-mercapto-1-methylimidazole；potassium;1-methylimidazole-2-thiolate
• CAS: 96592-02-8
• 化学式: C₄H₅N₂S*K
• 分子量: 152.261
• InChiKey: XXBKNGXWVJUZMJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.67
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  17.82
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  potassium salt of 1-methyl-2-mercaptoimidazole 、 对硝基氯苯 以 乙醇 为溶剂， 反应 1.0h， 以90%的产率得到1-methyl-2-((4-nitrophenyl)thio)-1H-imidazole
  参考文献：
  名称：

  Delarge; Thunus; Beckers, European Journal of Medicinal Chemistry, 1984, vol. 19, # 6, p. 559 - 565

  摘要：

  DOI：

文献信息

• Stannylene or Metallastanna(IV)ocane: A Matter of Formalism
  作者：Erica Brendler、Erik Wächtler、Thomas Heine、Lyuben Zhechkov、Thorsten Langer、Rainer Pöttgen、Anthony F. Hill、Jörg Wagler

  DOI：10.1002/anie.201007967

  日期：2011.5.9

  bonds in the compounds depicted exhibit formal σ donation in the opposite direction. Computational and spectroscopic data support stannylpalladium (PdISnIII) and palladastanna(IV)ocane (Pd0→SnIV) descriptions over stannylene coordination.

  Pushmi-pullyu和钯：尽管由SnCl 2向Pd II络合物的σ贡献而产生，但所示化合物中的SnPd键在相反的方向上表现出正式的σ贡献。计算和光谱数据支持stannylpalladium钯（Pd我锡III）和palladastanna（IV）ocane钯（Pd 0 →Sn的IV）超过stannylene协调描述。
• Inhibition of human leukocyte elastase. 3. Synthesis and activity of 3'-substituted cephalosporins
  作者：Shrenik K. Shah、Karen A. Brause、Gilbert O. Chandler、Paul E. Finke、Bonnie M. Ashe、Hazel Weston、Wilson B. Knight、Alan L. Maycock、James B. Doherty

  DOI：10.1021/jm00171a030

  日期：1990.9

  Several 3'-substituted cephalosporin sulfones were synthesized from 3-(hydroxymethyl)cephalosporin, which was prepared by Ti(OiPr)4 hydrolysis of the corresponding acetate. A method was also developed to prepare a 3-vinylcephalosporin. Some of these compound were found to be potent time-dependent inhibitors of human leukocyte elastase (HLE). The HLE inhibitory activity was correlated with sigma 1 and it was concluded that the potency was determined by the electron-withdrawing ability as well as the size of the substituent. A mechanism for inhibition of HLE by cephalosporin sulfones is proposed.
• SHAH, SHRENIK K.;BRAUSE, KAREN A.;CHANDLER, GILBERT O.;FINKE, PAUL E.;ASH+, J. MED. CHEM., 33,(1990) C. 2529-2535
  作者：SHAH, SHRENIK K.、BRAUSE, KAREN A.、CHANDLER, GILBERT O.、FINKE, PAUL E.、ASH+

  DOI：——

  日期：——