N-cyano-N'-(3,3-diphenylpropyl)-S-methylisothiourea | 136604-79-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-cyano-N'-(3,3-diphenylpropyl)-S-methylisothiourea
• 英文别名: methyl N-cyano-N'-(3,3-diphenylpropyl)carbamimidothioate
• CAS: 136604-79-0
• 化学式: C₁₈H₁₉N₃S
• 分子量: 309.435
• InChiKey: IMQUBHONYJFFJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  73.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-cyano-N'-(3,3-diphenylpropyl)-S-methylisothiourea 在 氢溴酸 作用下， 以 乙醇 为溶剂， 生成 N-(3,3-diphenylpropyl)-N'-(6-isothioureidohexyl)guanidine dihydrobromide
  参考文献：
  名称：

  Synthesis and in vitro pharmacology of dimaprit analogues with histamine H2-agonistic and H1-antagonistic activities

  摘要：

  The synthesis and in vitro pharmacology of some dimaprit analogues with histamine H-2-agonistic and additional histamine H-2-antagonistic activities are discussed. 2-Amino-5-(2-aminoethyl)thiazoles can be considered chemically as ring-closed dimaprit analogues, and so the alkylisothiourea structural moiety of dimaprit, S-[3-(N,N-dimethylamino)propyl]isothiourea could replace the propylthiazole or propylimidazole structural moieties of impromidine-like histamine H-2-agonists. The H-2-agonistic activities of a number of N-(3,3-diphenylpropyl)-N'-(omega-isothioureidoalkyl)guanidines indicate that 2-amino-5-(2-aminoethyl)thiazole can indeed be considered as a ring-closed dimaprit analogue.

  DOI：

  10.1016/0223-5234(96)88284-5
• 作为产物：
  描述：

  3,3-二苯基丙胺 、 N-氰亚胺基-S,S-二硫代碳酸二甲酯 以 二氯甲烷 为溶剂， 反应 0.5h， 以94%的产率得到N-cyano-N'-(3,3-diphenylpropyl)-S-methylisothiourea
  参考文献：
  名称：

  Synthesis and in vitro pharmacology of dimaprit analogues with histamine H2-agonistic and H1-antagonistic activities

  摘要：

  The synthesis and in vitro pharmacology of some dimaprit analogues with histamine H-2-agonistic and additional histamine H-2-antagonistic activities are discussed. 2-Amino-5-(2-aminoethyl)thiazoles can be considered chemically as ring-closed dimaprit analogues, and so the alkylisothiourea structural moiety of dimaprit, S-[3-(N,N-dimethylamino)propyl]isothiourea could replace the propylthiazole or propylimidazole structural moieties of impromidine-like histamine H-2-agonists. The H-2-agonistic activities of a number of N-(3,3-diphenylpropyl)-N'-(omega-isothioureidoalkyl)guanidines indicate that 2-amino-5-(2-aminoethyl)thiazole can indeed be considered as a ring-closed dimaprit analogue.

  DOI：

  10.1016/0223-5234(96)88284-5