2-[2-(5-methyl-4-imidazolylmethylthio)ethylamino]-3-nitro-4,5-dihydropyrrole | 74188-64-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[2-(5-methyl-4-imidazolylmethylthio)ethylamino]-3-nitro-4,5-dihydropyrrole
• 英文别名: 2-[(2-{[(4-methyl-5-imidazolyl)methyl]thio}ethyl)amino]-3-nitro-4,5-dihydropyrrole；N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-4-nitro-2,3-dihydro-1H-pyrrol-5-amine
• CAS: 74188-64-0
• 化学式: C₁₁H₁₇N₅O₂S
• 分子量: 283.354
• InChiKey: OHOFEMJCYPWXRL-UHFFFAOYSA-N

物化性质

• 沸点：
  562.1±50.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  124
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(((5-甲基-1H-咪唑-4-基)甲基)硫代)乙胺 生成 2-[2-(5-methyl-4-imidazolylmethylthio)ethylamino]-3-nitro-4,5-dihydropyrrole
  参考文献：
  名称：

  ROANTREE, M. L.;YOUNG, R. C.

  摘要：

  DOI：

文献信息

• 2-(Substituted amino)-3-nitro-2,3-unsaturated nitrogen heterocycles
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04238493A1

  公开（公告）日：1980-12-09

  2,3-Unsaturated nitrogen-containing heterocyclic compounds with a 3-nitro group and a 2-heterocyclyl alkylamino group. The alkyl group of 2-position substituents is preferably interrupted by sulfur or oxygen. The compounds of the invention are preferably dihydropyrroles or tetrahydropyridines or pyrimidines. The compounds of the invention are histamine H.sub.2 -receptor antagonists.

  含有3-硝基和2-杂环烷基氨基基团的2,3-不饱和氮杂环化合物。2-位置取代基的烷基基团最好由硫或氧中断。本发明的化合物最好是二氢吡咯或四氢吡啶或嘧啶。本发明的化合物是组胺H.sub.2-受体拮抗剂。
• 2-thiazolyl, oxazolyl, triazolyl and thiadiazolyl
  申请人：SmithKline & French Laboratories Limited

  公开号：US04656176A1

  公开（公告）日：1987-04-07

  2,3-Unsaturated nitrogen-containing heterocyclic compounds with a 3-nitro group and a 2-heterocyclyl alkylamino group. The alkyl group of 2-position substituents is preferably interrupted by sulfur or oxygen. The compounds of the invention are preferably dihydropyrroles or tetrahydropyrridines or pyrimidines. The compounds of the invention are histamine H.sub.2 -receptor antagonists.

  具有3-硝基和2-杂环烷基氨基基团的2,3-不饱和含氮杂环化合物。2-位置取代基的烷基团最好由硫或氧中断。本发明的化合物最好是二氢吡咯或四氢吡啶或嘧啶。本发明的化合物是组胺H.sub.2-受体拮抗剂。
• Nitro-substituted dihydropyrroles and tetrahydropyridines, compositions,
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04405624A1

  公开（公告）日：1983-09-20

  2,3-Unsaturated nitrogen-containing heterocyclic compounds with a 3-nitro group and a 2-heterocyclyl alkylamino group. The alkyl group of 2-position substituents is preferably interrupted by sulfur or oxygen. The compounds of the invention are preferably dihydropyrroles or tetrahydropyrridines or pyrimidines. The compounds of the invention are histamine H.sub.2 -receptor antagonists.

  具有3-硝基和2-杂环基烷基氨基基团的2,3-不饱和含氮杂环化合物。2-位置取代基的烷基基团最好被硫或氧中断。本发明的化合物最好是二氢吡咯或四氢吡啶或嘧啶。本发明的化合物是组胺H.sub.2-受体拮抗剂。
• 2-Thiazolyl, isothiazolyl, oxazolyl and isoxazolyl
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04525477A1

  公开（公告）日：1985-06-25

  2,3-Unsaturated nitrogen-containing heterocyclic compounds with a 3-nitro group and a 2-heterocyclyl alkylamino group. The alkyl group of 2-position substituents is preferably interrupted by sulfur or oxygen. The compounds of the invention are preferably dihydropyrroles or tetrahydropyrridines or pyrimidines. The compounds of the invention are histamine H.sub.2 -receptor antagonists.

  具有3-硝基和2-杂环基烷基氨基的2,3-不饱和含氮杂环化合物。2-位置取代基的烷基基团最好被硫或氧所间断。本发明化合物最好是二氢吡咯或四氢吡啶或嘧啶。本发明化合物是组胺H.sub.2-受体拮抗剂。
• 1-Benzyl-5-nitro-4-(pyridyl or imidazolyl)
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04324789A1

  公开（公告）日：1982-04-13

  2,3-Unsaturated nitrogen-containing heterocyclic compounds with a 3-nitro group and a 2-heterocyclyl alkylamino group. The alkyl group of 2-position substituents is preferably interrupted by sulfur or oxygen. The compounds of the invention are preferably dihydropyrroles or tetrahydropyrridines or pyrimidines. The compounds of the invention are histamine H.sub.2 -receptor antagonists.

  具有3-硝基和2-杂环基烷基氨基基团的2,3-不饱和含氮杂环化合物。2-位置取代基的烷基团最好被硫或氧所中断。该发明的化合物最好是二氢吡咯或四氢吡啶或嘧啶。该发明的化合物是组胺H.sub.2受体拮抗剂。