N-Cyano-N'-cyclooctyl-N"-(2-[[[5-(dimethylamino)methyl-2-furanyl]-methyl]thio]ethyl)-guanidine | 84141-78-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-Cyano-N'-cyclooctyl-N"-(2-[[[5-(dimethylamino)methyl-2-furanyl]-methyl]thio]ethyl)-guanidine
• 英文别名: 1-Cyano-3-cyclooctyl-2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]guanidine
• CAS: 84141-78-6
• 化学式: C₂₀H₃₃N₅OS
• 分子量: 391.581
• InChiKey: VAKFQYICUAWPJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Aromatic compounds, processes for their preparation and their use
  申请人：BEECHAM GROUP PLC

  公开号：EP0057981A2

  公开（公告）日：1982-08-18

  Compounds of formula (I) and pharmaceutically acceptable salts thereof: wherein: a is 1 to 3; b is 0 to 2; c is 2 to 4; d is 1 to 5; X is sulphur, oxygen or -CH2-; Y is oxygen, sulphur, NR4 or CHR5 wherein R4 is hydrogen, C1-4 alkyl, NO2 or CN, C1-4 alkylsulphonyl or phenylsulphonyl optionally substituted in the phenyl moiety by one or two substituents selected from C1-4 alkyl, C1-4 alkoxy, fluorine, chlorine or bromine, and R5 is N02, C1-4 alkylsulphonyl or optionally substituted phenylsulphonyl as defined for R4; R1 and R2 are independently hydrogen, C1-4 alkyl, or C3-6 cycloalkyl; or R1 and R2 taken together with the nitrogen to which they are attached represent a pyrrolidino or piperidino ring; R6 and R7 are independently hydrogen or C1-6 alkyl; and Ar is furan or thiophene attached at positions 2 and 5- or benzene attached at positions 1- and 3- or 1- and 4-, having useful pharmacological activity, processes for their preparation and their use.

  式(I)化合物及其药学上可接受的盐类： 其中 a 是 1 至 3 b 是 0 至 2 c 为 2 至 4 d 是 1 至 5； X 是硫、氧或-CH2-； Y 是氧、硫、NR4 或 CHR5，其中 R4 是氢、C1-4 烷基、NO2 或 CN、C1-4 烷基磺酰基或苯基磺酰基，可任选被选自 C1-4 烷基、C1-4 烷氧基、氟、氯或溴的一个或两个取代基取代；R5 是 N02、C1-4 烷基磺酰基或任选被取代的苯基磺酰基，如 R4 所定义； R1 和 R2 独立地为氢、C1-4 烷基或 C3-6 环烷基；或 R1 和 R2 与它们所连接的氮一起代表吡咯烷或哌啶环； R6 和 R7 独立地为氢或 C1-6 烷基；以及 Ar是连接在2-和5-位的呋喃或噻吩，或连接在1-和3-位或1-和4-位的苯，具有有用的药理活性、制备工艺和用途。
• US4427685A
  申请人：——

  公开号：US4427685A

  公开（公告）日：1984-01-24