dimethyl N-cyanothioimidocarbonate | 67434-79-1

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: dimethyl N-cyanothioimidocarbonate
• 英文别名: dimethyl cyanothioimidocarbonate；N-cyanoimidothiocarbonic acid, dimethyl ester；dimethyl-N-cyanothioimidocarbonate；Dimethyl-N-cyanimidothiocarbonate；dimethyl cyanothioiminocarbonate；methyl N-cyano-1-methylsulfanylmethanimidate
• CAS: 67434-79-1
• 化学式: C₄H₆N₂OS
• 分子量: 130.17
• InChiKey: NXDWNXIWERYDAL-UHFFFAOYSA-N

物化性质

• 沸点：
  171.9±23.0 °C(Predicted)
• 密度：
  1.271 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  dimethyl N-cyanothioimidocarbonate 、 甲基肼 以 乙腈 为溶剂， 生成 3-amino-5-methoxy-1-methyl-1H-1,2,4-triazole
  参考文献：
  名称：

  Herbicidal triazole ureas

  摘要：

  三唑脲类化合物作为农业化学品，特别是除草剂方面具有实用性。

  公开号：

  US04421550A1
• 作为产物：
  描述：

  甲氧基二硫代甲酸甲酯 、 氰胺 、 碘甲烷 在 氢氧化钾 作用下， 以17%的产率得到dimethyl N-cyanothioimidocarbonate
  参考文献：
  名称：

  Selby, T. P.; Lepone, G. E., Journal of Heterocyclic Chemistry, 1984, vol. 21, # 1, p. 61 - 64

  摘要：

  DOI：

文献信息

• Novel farnesyl protein transferase inhibitors as antitumor agents
  申请人：——

  公开号：US20030229099A1

  公开（公告）日：2003-12-11

  Disclosed are novel tricyclic compounds represented by the formula (1.0): 1 or a pharmaceutically acceptable salt or solvate thereof. The compounds are useful for inhibiting farnesyl protein transferase. Also disclosed are pharmaceutical compositions comprising compounds of formula 1.0. Also disclosed are methods of treating cancer using the compounds of formula 1.0.

  揭示了由式（1.0）表示的新型三环化合物： 1 或其药学上可接受的盐或溶剂。这些化合物对抑制法尼基蛋白转移酶具有用处。还揭示了包括式1.0化合物的药物组合物。还揭示了使用式1.0化合物治疗癌症的方法。
• N-sulfonylcarboximidamide apoptosis promoters
  申请人：Elmore W. Steven

  公开号：US20050272744A1

  公开（公告）日：2005-12-08

  Compounds having the formula are apoptosis promoters. Also disclosed are methods of making the compounds, compositions containing the compounds, and methods of treatment using the compounds.

  具有该公式的化合物是凋亡促进剂。还公开了制备这些化合物的方法、含有这些化合物的组合物以及使用这些化合物的治疗方法。
• (Imidazolylphenyl)formamidines. A structurally novel class of potent histamine H2 receptor antagonists
  作者：Arturo Donetti、Enzo Cereda、Elio Bellora、Alberto Gallazzi、Cesare Bazzano、Piercarlo Vanoni、Piero Del Soldato、Rosamaria Micheletti、Ferdinando Pagani、Antonio Giachetti

  DOI：10.1021/jm00369a025

  日期：1984.3

  Structure-activity considerations of N alpha-guanylhistamine, the first compound found with detectable H2-antagonist activity, led to the synthesis of a series of conformationally rigid guanylhistamine analogues, namely, (imidazolylphenyl)guanidines, imidazolylbenzamidines, and (imidazolylphenyl)formamidines. It was found that in the guanidine and benzamidine classes, the meta-substituted derivatives (3, 4, 7, and 8) possessed H2-antagonist activity, whereas in the class of formamidines, only the para-substituted derivative 10 was found active. A subsequent increase in the size of the substituent at the formamidino group of 10 led to compounds (15-20) of high H2-antagonist affinity, which was related to the gastric antisecretory effect. Members of this structurally novel class of H2 antagonists were 20- to 50-fold more potent than cimetidine both "in vitro" and "in vivo". Structure-activity relationships are discussed in terms of ionization properties, partitioning behavior, conformational aspects of the selected compound 17, and of possible modes of interaction with the histamine H2 receptor. It was found that the formamidine moiety was an important structural feature and that H2-antagonist activity requires correct steric and electronic properties. Compound 17 (DA 4577), owing to its pharmacological profile and demonstrated safety in animals, was selected to be clinically investigated.