5-isopropenyl-4-methyl-2,4-dihydro-[1,2,4]triazole-3-thione | 57864-04-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-isopropenyl-4-methyl-2,4-dihydro-[1,2,4]triazole-3-thione
• 英文别名: 4-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole-5-thione
• CAS: 57864-04-7
• 化学式: C₆H₉N₃S
• 分子量: 155.224
• InChiKey: PGGYWMNAGXETTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  59.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-Methyl-3-(2-methylprop-2-enoylamino)thiourea 、 sodium hydroxide 生成 5-isopropenyl-4-methyl-2,4-dihydro-[1,2,4]triazole-3-thione
  参考文献：
  名称：

  SIMIONESCU C.; COMANITA E.; VATA M., ACTA CHIM. ACAD. SCI. HUNG. , 1975, 86, NO 4, 459-464

  摘要：

  DOI：

文献信息

• Novel Compounds
  申请人：Arista Luca

  公开号：US20080227837A1

  公开（公告）日：2008-09-18

  The present invention relates to novel compounds of formula (I) or a pharmaceutically acceptable salt thereof: wherein G is selected from a group consisting of: phenyl, pyridyl, benzothiazolyl, indazolyl; p is an integer ranging from 0 to 5; R 1 is independently selected from a group consisting of: halogen, hydroxy, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy, haloC 1-4 alkoxy, C 1-4 alkanoyl and SF 5 ; or corresponds to a group R 5 ; R 2 is hydrogen or C 1-4 alkyl; R 3 is C 1-4 alkyl; R 4 is C 1-4 alkyl or C 1-6 cycloalkyl optionally substituted by 1 or 2 substituents selected from the group consisting of: halogen, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy, C 1-4 alkanoyl; R 5 is a moiety selected from the group consisting of: isoxazolyl, —CH 2 —N-pyrrolyl, 1,1 -dioxido- 2 -isothiazolidinyl, thienyl, thiazolyl, pyridyl, 2 -pyrrolidinonyl, and such a group is optionally substituted by one or two substituents selected from: halogen, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy, C 1-4 alkanoyl; processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as modulators of dopamine D 3 receptors, as antipsychotic agents, or to treat obsessive compulsive spectrum disorders or premature ejaculation.

  本发明涉及公式（I）的新化合物或其药学上可接受的盐：其中G选择自以下组：苯基，吡啶基，苯并噻唑基，吲哚基；p是从0到5的整数；R1独立地选择自以下组：卤素，羟基，氰基，C1-4烷基，卤代C1-4烷基，C1-4烷氧基，卤代C1-4烷氧基，C1-4酰基和SF5；或对应于R5基团；R2是氢或C1-4烷基；R3是C1-4烷基；R4是C1-4烷基或C1-6环烷基，可选地被1或2个来自以下组的取代基所取代：卤素，氰基，C1-4烷基，卤代C1-4烷基，C1-4烷氧基，C1-4酰基；R5是从以下组中选择的基团：异恶唑基，-CH2-N-吡咯基，1,1-二氧化-2-异硫氰酸酰基，噻唑基，噻唑啉基，吡啶基，2-吡咯烷酰基，该基团可选地被1或2个取代基所取代，所述取代基选择自：卤素，氰基，C1-4烷基，卤代C1-4烷基，C1-4烷氧基，C1-4酰基；以及用于制备这些化合物的中间体，包含它们的制药组合物以及它们作为多巴胺D3受体调节剂、抗精神病药物或用于治疗强迫症谱系障碍或早泄的用途。
• NOVEL COMPOUNDS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1891056B1

  公开（公告）日：2010-10-13
• US7807698B2
  申请人：——

  公开号：US7807698B2

  公开（公告）日：2010-10-05