N',N''''-bis-[2-(5-methyl-1(3)H-imidazol-4-ylmethylsulfanyl)-ethyl]-N,N'''-propane-1,3-diyl-bis-guanidine | 57217-01-3

• 英文名称: N',N''''-bis-[2-(5-methyl-1(3)H-imidazol-4-ylmethylsulfanyl)-ethyl]-N,N'''-propane-1,3-diyl-bis-guanidine
• 英文别名: 1,3-bis-[N'-(2-(5-methyl-4-imidazolylmethylthio)ethyl)guanidino]propane；1,3-bis[N'-(2-(5-Methyl-4-imidazolylmethylthio)ethyl)guanidino]propane；2-[3-[[amino-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]methylidene]amino]propyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
• CAS: 57217-01-3
• 化学式: C₁₉H₃₄N₁₀S₂
• 分子量: 466.678
• InChiKey: QIPBYNQBPYZSMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  31
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  209
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,3-丙二胺 、 S-methyl-N-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]thiouronium sulphate 在 乙醇 作用下， 以 水 为溶剂， 反应 2.0h， 以afforded the title compound as the dipicrate (1.1 g) m.p. 114-6°的产率得到N',N''''-bis-[2-(5-methyl-1(3)H-imidazol-4-ylmethylsulfanyl)-ethyl]-N,N'''-propane-1,3-diyl-bis-guanidine
  参考文献：
  名称：

  Nitromethylene amidino derivatives containing imidazole groups

  摘要：

  该化合物是C.sub.2-C.sub.8直链烷基，通过N-（N'-取代的鸟氨酸基），N-（N'，N"-二取代的鸟氨酸基），N-（N'-取代的硫脲基），N-（亚硝基甲亚胺基）或S-（N-取代的异硫脲基）末端取代的对称或非对称化合物。本发明的两种化合物是1,3-双-[N'-(2-(5-甲基-4-咪唑甲基硫基)乙基)鸟氨酸基]丙烷和1,3-双-[S-(N-2-(5-甲基-4-咪唑甲基硫基)乙基)异硫脲基]丙烷。本发明化合物是H-2组胺受体的抑制剂。

  公开号：

  US04151289A1

文献信息

• Heterocyclic thioureas, isothioureas, guanidines and
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04405621A1

  公开（公告）日：1983-09-20

  The compounds are C.sub.2 -C.sub.8 straight chain alkanes terminally substituted, symmetrically or unsymmetrically, by N-(N'-substituted guanidino), N-(N',N"-disubstituted guanidino), N-(N'-substituted thioureido), N-(nitromethylene amidino) or S-(N-substituted isothioureido)groups. Two compounds of the invention are 1,3-bis-[N'-(2-(5-methyl-4-imidazolylmethylthio)ethyl)guanidino]propane and 1,3-bis-[S-(N-2-(5-methyl-4-imidazolylmethylthio)ethyl)isothioureido]p ropane. The compounds of this invention are inhibitors of H-2 histamine receptors.

  该化合物是C.sub.2-C.sub.8直链烷基，通过N-(N'-取代基)guanidino、N-(N',N"-二取代基)guanidino、N-(N'-取代硫脲基)、N-(硝基亚甲基酰胺基)或S-(N-取代异硫脲基)基端置换的对称或不对称化合物。本发明的两种化合物是1,3-双-[N'-(2-(5-甲基-4-咪唑基甲硫基)乙基)guanidino]丙烷和1,3-双-[S-(N-2-(5-甲基-4-咪唑基甲硫基)乙基)异硫脲基]丙烷。本发明化合物是H-2组胺受体的抑制剂。
• Guanidino, thioureido and isothioureido derivatives containing imidazole
  申请人：Smith Kline & French Laboratories Limited

  公开号：US03968227A1

  公开（公告）日：1976-07-06

  The compounds are C.sub.2 -C.sub.8 straight chain alkanes terminally substituted, symmetrically or unsymmetrically, by N-(N'-substituted guanidino), N-(N',N" -disubstituted guanidino), N-(N'-substituted thioureido), N-(nitromethylene amidino) or S-(N-substituted isothioureido) groups. Two compounds of the invention are 1,3-bis-[N'-(2-(5-methyl-4-imidazolylmethylthio)ethyl)guanidino]propane and 1,3-bis-[S-(N-2-(5-methyl-4-imidazolylmethylthio)ethyl)isothioureido]p ropane. The compounds of this invention are inhibitors of H-2 histamine receptors.

  该化合物为C.sub.2 -C.sub.8 直链烷基，在末端取代，对称或不对称地，由N-(N'-取代的胍基)、N-(N',N" -二取代的胍基)、N-(N'-取代的硫脲基)、N-(亚硝基亚胺基)或S-(N-取代的异硫脲基)基团。本发明的两种化合物为1,3-双-[N'-(2-(5-甲基-4-咪唑甲基硫醇)乙基)胍基]丙烷和1,3-双-[S-(N-2-(5-甲基-4-咪唑甲基硫醇)乙基)异硫脲基]丙烷。本发明的化合物是H-2组胺受体的抑制剂。
• Thiazole, isothiazole, oxazole and isoxazole compounds
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04197305A1

  公开（公告）日：1980-04-08

  The compounds are C.sub.2 -C.sub.8 straight chain alkanes terminally substituted, symmetrically or unsymmetrically, by N-(N'-substituted guanidino), N-(N',N"-disubstituted guanidino), N-(N'-substituted thioureido), N-(nitrometylene amidino) or S-(N-substituted isothioureido)groups. Two compounds of the invention are 1,3-bis-[N'-(2-(5-methyl-4-imidazolylmethylthio)ethyl)guanidino]propane and 1,3-bis-[S-(N-2-(5-methyl-4-imidazolylmethylthio)ethyl)ethyl)isothiour eido]propane. The compounds of this invention are inhibitors of H-2 histamine receptors.

  本发明的化合物是C.sub.2-C.sub.8直链烷基末端取代的，对称或不对称地，由N-（N'-取代的鸟氨酸基）、N-（N'，N"-二取代的鸟氨酸基）、N-（N'-取代的硫脲基）、N-（硝基亚氨基）或S-（N-取代的异硫脲基）基取代。本发明的两种化合物是1,3-双-[N'-(2-(5-甲基-4-咪唑基甲基硫)乙基)鸟氨酸基]丙烷和1,3-双-[S-(N-2-(5-甲基-4-咪唑基甲基硫)乙基)乙基]异硫脲基]丙烷。本发明的化合物是H-2组胺受体的抑制剂。
• Bis-guanidino-alkane compounds
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04062967A1

  公开（公告）日：1977-12-13

  The compounds are C.sub.2 -C.sub.8 straight chain alkanes terminally substituted, symmetrically or unsymmetrically, by N-(N'-substituted guanidino), N-(N',N"-disubstituted guanidino), N-(N'-substituted thioureido), N-(nitromethylene amidino) or S-(N-substituted isothioureido)groups. Two compounds of the invention are 1,3-bis[N'-(2-(5-methyl-4-imidazolylmethylthio)ethyl)guanidino]propane and 1,3-bis-[S-(N-2-(5-methyl-4-imidazolylmethylthio)ethyl)isothioureido]propa ne. The compounds of this invention are inhibitors of H-2 histamine receptors.

  该化合物是C.sub.2-C.sub.8直链烷基，通过N-(N'-取代基胍基)，N-(N',N"-二取代基胍基)，N-(N'-取代硫脲基)，N-(硝基亚胺基)或S-(N-取代异硫脲基)基团在末端取代的对称或非对称的化合物。本发明的两种化合物是1,3-双[N'-(2-(5-甲基-4-咪唑基甲硫基)乙基)胍基]丙烷和1,3-双-[S-(N-2-(5-甲基-4-咪唑基甲硫基)乙基)异硫脲基]丙烷。本发明的化合物是H-2组胺受体的抑制剂。
• Unsymmetrical guanidino, thioureido, isothioureido and
  申请人：SmithKline & French Laboratories Limited

  公开号：US04578388A1

  公开（公告）日：1986-03-25

  The compounds are C.sub.2 -C.sub.8 straight chain alkanes terminally substituted, symmetrically or unsymmetrically, by N-(N'-substituted guanidino), N-(N',N"-disubstituted guanidino). N-(N'-substituted thioureido), N-(nitromethylene amidino) or S-(N-substituted isothioureido) groups. Two compounds of the invention are 1,3-bis-[N'-(2-(5-methyl-4-imidazolylmethylthio)ethyl)guanidino]propane and 1,3-bis-[S-(N-2-(5-methyl-4-imidazolylmethylthio)ethyl)isothioureido]p ropane. The compounds of this invention are inhibitors of H-2 histamine receptors.

  该化合物是由C.sub.2-C.sub.8直链烷基末端取代的N-(N'-取代鸟氨酸基)、N-(N', N"-二取代鸟氨酸基)、N-(N'-取代硫脲基)、N-(硝基亚胺基)或S-(N-取代异硫脲基)对称或不对称取代。本发明的两种化合物是1,3-双-[N'-(2-(5-甲基-4-咪唑甲基硫醇)乙基)鸟氨酸基]丙烷和1,3-双-[S-(N-2-(5-甲基-4-咪唑甲基硫醇)乙基)异硫脲基]丙烷。本发明的化合物是H-2组胺受体的抑制剂。