2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethylamine | 52378-46-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethylamine
• 英文别名: 4-bromo-5-[(2-aminoethyl)-thiomethyl]imidazole；2-(5-bromo-1(3)H-imidazol-4-ylmethylsulfanyl)-ethylamine；2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethanamine
• CAS: 52378-46-8
• 化学式: C₆H₁₀BrN₃S
• 分子量: 236.136
• InChiKey: NTLFEXLXZRBDPP-UHFFFAOYSA-N

物化性质

• 沸点：
  438.2±40.0 °C(Predicted)
• 密度：
  1.638±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  80
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(苄氧基)-2-(甲硫基)-4-嘧啶醇 、 2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethylamine 生成 2-[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one
  参考文献：
  名称：

  BROWN, T. H.;DURANT, G. J.;EMMETT, J. C.;GANELLIN, C. R.

  摘要：

  DOI：

文献信息

• Pyridyl-alkylaminoethylene compounds
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04013769A1

  公开（公告）日：1977-03-22

  The compounds are ethylene derivatives which are inhibitors of histamine activity, in particular, inhibitors of H-2 histamine receptors. A compound of this invention is 1-nitro-2-[2-((4-methyl-5-imidazolyl)methylthio)ethylamino]-2-[2-((3-chlor o-2-pyridyl)methylthio)ethylamino]ethylene.

  这些化合物是乙烯衍生物，是组胺活性的抑制剂，特别是H-2组胺受体的抑制剂。本发明的一种化合物是1-硝基-2-[2-((4-甲基-5-咪唑基)甲硫基)乙基氨基]-2-[2-((3-氯-2-吡啶基)甲硫基)乙基氨基]乙烯。
• Pharmacologically active guanidine compounds
  申请人：Smith Kline & French Laboratories Limited

  公开号：US03950333A1

  公开（公告）日：1976-04-13

  The compounds are substituted thioalkyl-, aminoalkyl- and oxyalkyl-guanidines which are inhibitors of histamine activity.

  这些化合物是取代的硫代烷基、氨基烷基和氧烷基胍，它们是组胺活性的抑制剂。
• Pharmaceutical compositions and methods of inhibiting H-1 and H-2
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04000302A1

  公开（公告）日：1976-12-28

  Pharmaceutical compositions and methods of inhibiting H-1 and H-2 histamine receptors by administering an antihistamine and an H-2 histamine receptor inhibitor. Exemplary of the antihistamine in the compositions and methods of this invention is mepyramine and exemplary of the H-2 histamine receptor inhibitor is N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)-methylthio)ethyl]guanidin e.

  药物组合物和通过给予抗组胺药和H-2组胺受体抑制剂来抑制H-1和H-2组胺受体的方法。该发明的药物组合物和方法中的抗组胺药的示例是美匹拉明，H-2组胺受体抑制剂的示例是N-氰基-N'-甲基-N"-[2-((4-甲基-5-咪唑基)-甲硫基)乙基]胍。
• Ethylene derivatives
  申请人：Smith Kline & French Laboratories Limited

  公开号：US03953460A1

  公开（公告）日：1976-04-27

  The compounds are ethylene derivatives which are inhibitors of histamine activity, in particular, inhibitors of H-2 histamine receptors. A compound of this invention is 1-nitro-2-methylamino-2-[2-((4-methyl-5-imidazolyl) methylthio)ethylamino]-ethylene.

  这些化合物是乙烯衍生物，是组胺活性的抑制剂，特别是H-2组胺受体的抑制剂。本发明的一种化合物是1-硝基-2-甲基氨基-2-[2-((4-甲基-5-咪唑基)甲硫基)乙氨基]-乙烯。
• Imidazolylalkylthioalkylamino-ethylene derivatives
  申请人：Bristol-Myers Company

  公开号：US04200760A1

  公开（公告）日：1980-04-29

  Compounds of the formula ##STR1## wherein R.sup.1 is a straight or branched chain alkynyl group containing from 3 to 9 carbon atoms, inclusive; R.sup.2 is hydrogen, (lower)alkyl, halogen or hydroxymethyl; m is 1 or 2, and n is 2 or 3, provided that the sum of m and n is 3 or 4; X and Y each are independently hydrogen, nitro, cyano, --SO.sub.2 Ar or --COR.sup.3, provided that X and Y are not both hydrogen; R.sup.3 is (lower)alkyl, Ar, (lower)alkoxy, amino or (lower)-alkylamino; and Ar is an optionally substituted phenyl group; and nontoxic pharmaceutically acceptable acid addition salts thereof, are potent anti-ulcer agents. Processes for their preparation and novel intermediates are also disclosed.

  化合物的公式为##STR1##其中，R.sup.1是含有3至9个碳原子的直链或支链炔基基团；R.sup.2是氢，（低）烷基，卤素或羟甲基；m为1或2，n为2或3，前提是m和n的总和为3或4；X和Y各自独立地是氢，硝基，氰基，--SO.sub.2 Ar或--COR.sup.3，前提是X和Y不都是氢；R.sup.3是（低）烷基，Ar，（低）烷氧基，氨基或（低）-烷基氨基；Ar是可选择取代的苯基团；以及其无毒且药学上可接受的酸盐。还公开了其制备过程和新颖的中间体。