3-[(4-methyl-1H-imidazol-5-yl)methylthio]propylamine | 59660-25-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[(4-methyl-1H-imidazol-5-yl)methylthio]propylamine
• 英文别名: 4-methyl-5-[(3-aminopropyl)thiomethyl]imidazole；3-(5-methyl-1(3)H-imidazol-4-ylmethylsulfanyl)-propylamine；3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-1-amine
• CAS: 59660-25-2
• 化学式: C₈H₁₅N₃S
• 分子量: 185.293
• InChiKey: MSHKYEMIHVMDTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  3-[(4-methyl-1H-imidazol-5-yl)methylthio]propylamine 生成 N-cyano-N'-methyl-N''-[3-(5-methyl-1(3)H-imidazol-4-ylmethylsulfanyl)-propyl]-guanidine
  参考文献：
  名称：

  Pharmacologically active guanidine compounds

  摘要：

  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。

  公开号：

  US03950333A1

文献信息

• 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.

  该公式化合物为 ##STR1## 其中 R.sup.1 是含有3到9个碳原子的直链或支链炔基团；R.sup.2 是氢、(较低)烷基、卤素或羟甲基；m 为1或2，n 为2或3，但要求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，但要求X和Y不能都是氢；R.sup.3 是(较低)烷基、Ar、(较低)烷氧基、氨基或(较低)烷基氨基；Ar 是可选择取代的苯基团；以及其对应的无毒药用可接受酸盐是有效的抗溃疡剂。还公开了它们的制备方法和新颖中间体。
• Substituted isocytosines having histamine H.sub.2 -antagonist activity
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04154834A1

  公开（公告）日：1979-05-15

  The compounds are substituted isocytosines which are histamine H.sub.2 -antagonists. Two specific compounds of the present inventon are 2-[2-(5-methyl-4-imidazolylmethylthio)ethylamino]-5-(3-pyridylmethyl)-4-py rimidone and 2-[2-(3-bromo-2-pyridylmethylthio)ethylamino]-5-(4-pyridylmethyl)-4-pyrimi done.

  这些化合物是取代的异胞嘧啶，是组胺H.sub.2-拮抗剂。本发明的两种特定化合物是2-[2-(5-甲基-4-咪唑基甲硫基)乙基氨基]-5-(3-吡啶甲基)-4-吡咯酮和2-[2-(3-溴-2-吡啶甲硫基)乙基氨基]-5-(4-吡啶甲基)-4-吡咯酮。
• 1-(Alkynyl)amino-1-(mercaptoalkyl)amino ethylenes
  申请人：Bristol-Myers Company

  公开号：US04221737A1

  公开（公告）日：1980-09-09

  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. Also disclosed are processes for their preparation and novel intermediates of the formulae ##STR2## in which R.sup.1, X, Y and n are as defined above and R.sup.5 is (lower)alkyl, phenylalkyl or phenyl containing 1 or 2 substituents independently selected from nitro, chloro and bromo.

  该化合物的式子为##STR1##其中，R.sup.1是直链或支链炔基，含有3-9个碳原子，包括；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分别独立地是氢，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是一个可选的取代苯基；以及其无毒药学上可接受的酸加合盐，是有效的抗溃疡剂。此外，还公开了它们的制备过程和新的中间体的公式##STR2##其中，R.sup.1，X，Y和n如上定义，R.sup.5是(低)烷基，苯基烷基或含有1或2个独立选择的取代基的苯基，选自硝基，氯和溴。
• Heterocyclic alkyl 4-pyrimidones
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04216318A1

  公开（公告）日：1980-08-05

  The compounds are substituted isocytosines which are histamine H.sub.2 -antagonists. Two specific compounds of the present invention are 2-[2-(5-methyl-4-imidazolylmethylthio)ethylamino]-5-(3-pyridylmethyl)-4-py rimidone and 2-[2-(3-bromo-2-pyridylmethylthio)-ethylamino]-5-(4-pyridylmethyl)-4-pyrim idone.

  这些化合物是取代的异胞嘧啶，它们是组胺H.sub.2-拮抗剂。本发明的两种特定化合物是2-[2-(5-甲基-4-咪唑基甲硫基)乙基氨基]-5-(3-吡啶甲基)-4-吡咯酮和2-[2-(3-溴-2-吡啶甲硫基)-乙基氨基]-5-(4-吡啶甲基)-4-吡咯酮。
• 2-nitro aminopyrimidone derivatives, a process for their preparation and their use to prepare 2-aminopyrimidone derivatives which have histamine H2-antagonist activity
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0004793B1

  公开（公告）日：1981-12-30