hexamethyleneiminodithiocarboxylic acid, potassium salt | 52711-97-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: hexamethyleneiminodithiocarboxylic acid, potassium salt
• 英文别名: potassium azepane-1-carbodithioate；hexahydro-azepine-1-carbodithioic acid ; potassium-salt；Hexahydro-azepin-1-dithiocarbonsaeure; Kalium-Salz；Potassium;azepane-1-carbodithioate；potassium;azepane-1-carbodithioate
• CAS: 52711-97-4
• 化学式: C₇H₁₂NS₂*K
• 分子量: 213.409
• InChiKey: YNXDMSDQCGPOER-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  hexamethyleneiminodithiocarboxylic acid, potassium salt 在 盐酸 、 sodium nitrite 作用下， 以 甲醇 、 水 为溶剂， 生成 N,N,N',N'-Bis(hexamethylene)-thiuramdisulfide
  参考文献：
  名称：

  Bis(dialkylaminethiocarbonyl)disulfides as Potent and Selective Monoglyceride Lipase Inhibitors

  摘要：

  Monoglyceride lipase (MGL) inhibition may offer an approach in treating diseases in which higher 2-arachidonoyglycerol activity would be beneficial. We report here the synthesis and pharmacological evaluation of bis(dialkylaminethiocarbonyl)disulfide derivatives as irreversible MGL inhibitors. Inhibition occurs through interactions with MGL C208 and C242 residues, and these derivatives exhibit high inhibition selectivity over fatty acid amide hydrolase, another endocannabinoid-hydrolyzing enzyme.

  DOI：

  10.1021/jm901323s
• 作为产物：
  描述：

  环己亚胺 、 二硫化碳 在 水 、 potassium hydroxide 作用下， 以 乙醇 为溶剂， 生成 hexamethyleneiminodithiocarboxylic acid, potassium salt
  参考文献：
  名称：

  Structure–activity relationships of mononuclear metal–thiosemicarbazone complexes endowed with potent antiplasmodial and antiamoebic activities

  摘要：

  A useful concept for the rational design of antiparasitic drug candidates is the complexation of bioactive ligands with transition metals. In view of this, an investigation was conducted into a new set of metal complexes as potential antiplasmodium and antiamoebic agents, in order to examine the importance of metallic atoms, as well as the kind of sphere of co-ordination, in these biological properties. Four functionalized furyl-thiosemicarbazones (NT1-4) treated with divalent metals (Cu, Co, Pt, and Pd) to form the mononuclear metallic complexes of formula [M(L)(2)Cl-2] or [M(L)Cl-2] were examined. The pharmacological characterization, including assays against Plasmodium falciparum and Entamoeba histolytica, cytotoxicity to mammalian cells, and interaction with pBR 322 plasmid DNA was performed. Structure-activity relationship data revealed that the metallic complexation plays an essential role in antiprotozoal activity, rather than the simple presence of the ligand or metal alone. Important steps towards identification of novel antiplasmodium (NT1Cu, IC50 of 4.6 mu M) and antiamoebic (NT2Pd, IC50 of 0.6 mu M) drug prototypes were achieved. Of particular relevance to this work, these prototypes were able to reduce the proliferation of these parasites at concentrations that are not cytotoxic to mammalian cells. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2010.07.039

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ni: MVol.C2, 8.14.1, page 987 - 998
  作者：

  DOI：——

  日期：——
• Radioprotective activity of new dithiocarbamic acid salts
  作者：É. A. Tarakhtii、L. P. Sidorova、O. A. Zhigal'skii、O. N. Chupakhin

  DOI：10.1007/bf02464220

  日期：1998.1
• Palaska; Sarac; Safak, Arzneimittel-Forschung/Drug Research, 1992, vol. 42, # 12, p. 1453 - 1455
  作者：Palaska、Sarac、Safak、Erdogan、Erol、Alpan

  DOI：——

  日期：——
• Calis; Ozkanli; Dalkara, Pharmazie, 1993, vol. 48, # 12, p. 945 - 946
  作者：Calis、Ozkanli、Dalkara、Erol、Ozdemir

  DOI：——

  日期：——
• Safak; Erdogan; Yesilada, Arzneimittel-Forschung/Drug Research, 1992, vol. 42, # 2, p. 123 - 126
  作者：Safak、Erdogan、Yesilada、Erol、Cimgi

  DOI：——

  日期：——