3-(1H-imidazol-5-yl)-2-methylpropan-1-amine | 141400-28-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-(1H-imidazol-5-yl)-2-methylpropan-1-amine
• CAS: 141400-28-4
• 化学式: C₇H₁₃N₃
• mdl: MFCD19207000
• 分子量: 139.2
• InChiKey: AAIITQHFKDQLPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  54.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(1H-imidazol-5-yl)-2-methylpropan-1-amine 在 吡啶 、 盐酸 作用下， 反应 11.0h， 生成 N-[3-(1H-Imidazol-4-yl)-2-methyl-propyl]-N'-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine; hydrochloride
  参考文献：
  名称：

  Histamine analogues: imidazolylalkylguanidines, synthesis and in vitro pharmacology

  摘要：

  Impromidine analogues characterized by modified side chains connecting the guanidine and imidazole moieties have been prepared and tested for H-2-agonistic activity on isolated guinea-pig right atrium and for H-1-antagonistic activity on guinea-pig ileum, respectively. 3-(1H-Imidazol-4-yl)propylguanidines with varied cimetidine-like side chain (5a-d) proved to be almost full H-2-agonists and 5-70 times more potent than histamine, whereas compounds with beta- or gamma-methyl branched imidazolylpropyl moiety (5e, 5f, 5h) are only weak partial H-2-agonists. Both unsaturated impromidine analogues (5i, 5j) are full H-2-agonists, the (Z)-configurated compound 5j being about 4 times more potent than the (E)-configurated derivate 5i.

  DOI：

  10.1016/0223-5234(92)90056-7
• 作为产物：
  描述：

  3-Hydroxy-2-methyl-3-(1-triphenylmethyl-1H-imidazol-4-yl)propannitril 在 palladium on activated charcoal sodium hydroxide 、 lithium aluminium tetrahydride 、 氯化亚砜 、 水 、 氢气 作用下， 以 四氢呋喃 为溶剂， 25.0 ℃ 、1000.0 kPa 条件下， 反应 2.5h， 生成 3-(1H-imidazol-5-yl)-2-methylpropan-1-amine
  参考文献：
  名称：

  Sellier, Christian; Buschauer, Armin; Elz, Sigurd, Liebigs Annalen der Chemie, 1992, # 4, p. 317 - 324

  摘要：

  DOI：

文献信息

• Sellier, Christian; Buschauer, Armin; Elz, Sigurd, Liebigs Annalen der Chemie, 1992, # 4, p. 317 - 324
  作者：Sellier, Christian、Buschauer, Armin、Elz, Sigurd、Schunack, Walter

  DOI：——

  日期：——
• Histamine analogues: imidazolylalkylguanidines, synthesis and in vitro pharmacology
  作者：C Sellier、S Elz、A Buschauer、W Schunack

  DOI：10.1016/0223-5234(92)90056-7

  日期：1992.1

  Impromidine analogues characterized by modified side chains connecting the guanidine and imidazole moieties have been prepared and tested for H-2-agonistic activity on isolated guinea-pig right atrium and for H-1-antagonistic activity on guinea-pig ileum, respectively. 3-(1H-Imidazol-4-yl)propylguanidines with varied cimetidine-like side chain (5a-d) proved to be almost full H-2-agonists and 5-70 times more potent than histamine, whereas compounds with beta- or gamma-methyl branched imidazolylpropyl moiety (5e, 5f, 5h) are only weak partial H-2-agonists. Both unsaturated impromidine analogues (5i, 5j) are full H-2-agonists, the (Z)-configurated compound 5j being about 4 times more potent than the (E)-configurated derivate 5i.