5-(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)pentyl methanesulfonate

• 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-(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)pentyl methanesulfonate
• 英文别名: 5-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)pentyl methanesulfonate
• 化学式: C₇H₂F₄NO₂Pol
• 分子量: 323.4
• InChiKey: HWTFJHRGVLDVSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  82.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)pentyl methanesulfonate 、 对乙酰氨基苯甲酸 在 4-二甲氨基吡啶 、 N,N'-二异丙基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 N6-[2-(2-amino-ethoxy)-ethyl]adenosine
  参考文献：
  名称：

  一系列具有抗锥虫寄生虫活性的N 6取代的腺苷的合成

  摘要：

  嘌呤挽救参与当前的锥虫杀毒药物的积累对于非洲昏睡病的治疗很重要。因此，必需核苷转运蛋白的底物特异性具有生理和药理学意义。为了促进本领域的知识，制备了一系列在N 6位具有取代基的16种腺苷衍生物，以评估其抑制布鲁氏锥虫的潜力。spp。体外。选择未修饰的核糖部分以保留在原生动物质膜上大量表达的完整膜蛋白的阿森纳的关键分子识别基序。使用聚合物辅助酰化方案制备的两种新化合物在单位数微摩尔浓度范围内显示出抗锥虫活性。

  DOI：

  10.1016/j.ejmech.2009.02.010
• 作为产物：
  描述：

  5-己烯腈 在 盐酸 、 potassium carbonate 、 三乙胺 、 9-硼双环[3.3.1]壬烷 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 乙醇 、 二氯甲烷 为溶剂， 反应 32.17h， 生成 5-(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)pentyl methanesulfonate
  参考文献：
  名称：

  WO2006/108701

  摘要：

  公开号：

文献信息

• Heterobicyclic thiophene compounds and methods of use
  申请人：Blake F. James

  公开号：US20070197537A1

  公开（公告）日：2007-08-23

  Compounds of Formula I and pharmaceutically acceptable salts thereof, are useful for inhibiting receptor tyrosine kinases and for treating disorders mediated thereby. Methods of using compounds of Formula I and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  公式I的化合物及其药用盐可用于抑制受体酪氨酸激酶，并用于治疗由此介导的疾病。公开了使用公式I的化合物及其药用盐的方法，用于体外、原位和体内诊断、预防或治疗哺乳动物细胞中的这类疾病，或相关的病理情况。
• 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS
  申请人：Bonanomi Giorgio

  公开号：US20090124629A1

  公开（公告）日：2009-05-14

  The present invention relates to novel compounds of formula (I) or pharmaceutically acceptable salt thereof: wherein G is selected from a group consisting of: phenyl, pyridyl, benzothiazolyl and 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 ; each R 2 is independently hydrogen, fluorine or C 1-4 alkyl; n is 2, 3, 4, or 5; R 3 is C 1-4 alkyl; R 4 is hydrogen, or a C 1-4 alkyl group, a benzyl group, a phenyl group, a heterocyclyl group, a 5- or 6-membered heteroaromatic group, or a 8- to 11-membered bicyclic group, any of which groups is optionally substituted by 1, 2, 3 or 4 substituents selected from the group consisting of: halogen, 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 R 4 is a —SR 6 group; R 5 is selected from a group consisting of: isoxazolyl, —CH 2 —N-pyrrolyl, 1,1-dioxido- 2-isothiazolidinyl, thienyl, thiazolyl, pyridyl and 2-pyrrolidinonyl, and such a group is optionally substituted by one or two substituents selected from a group consisting of: halogen, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy and C 1-4 alkanoyl; R 6 is C 1-4 alkyl or —CH 2 C 3-4 cycloalkyl; and when R 1 is chlorine and p is 1, such R 1 is not present in the ortho position with respect to the linking bond to the rest of the molecule; and when R 1 corresponds to R 5 , p is 1. 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, e.g. to treat drug dependency, as antipsychotic agents, to treat obsessive compulsive spectrum disorders, premature ejaculation or cognition impairment.

  本发明涉及以下式（I）的新化合物或其药学上可接受的盐：其中G选自以下组：苯基，吡啶基，苯并噻唑基和吲唑基；p为0至5的整数；R1独立选自以下组：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；每个R2独立地为氢，氟或C1-4烷基；n为2、3、4或5；R3为C1-4烷基；R4为氢，或C1-4烷基，苄基，苯基，杂环基，5-或6-成员杂芳基，或8-至11-成员双环基团，其中任何一个基团可以选择地由1、2、3或4个来自以下组的取代基取代：卤素，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R4为-SR6基团；R5选自以下组：异噁唑基，-CH2-N-吡咯基，1,1-二氧化-2-异噻唑烷基，噻唑基，吡啶基和2-吡咯烷基，并且此类基团可以选择地由1或2个来自以下组的取代基取代：卤素，氰基，C1-4烷基，卤代C1-4烷基，C1-4烷氧基和C1-4酰基；R6为C1-4烷基或-CH2C3-4环烷基；当R1为氯且p为1时，此类R1不在与分子的其余部分的连接键的正交位置上存在；当R1对应于R5时，p为1。本发明还涉及制备这些化合物的方法，用于这些方法的中间体，包含它们的药物组合物以及它们作为多巴胺D3受体调节剂的用途，例如用于治疗药物依赖，作为抗精神病药物，用于治疗强迫症谱系障碍，早泄或认知障碍。
• 3-(1,2,4-triazol-3-ylalkyl) azabicyclo (3.1.0) hexane derivatives as modulators of dopamine D3 receptors
  申请人：Glaxo Group Limted

  公开号：US07947683B2

  公开（公告）日：2011-05-24

  The present invention relates to novel compounds of formula (I) or pharmaceutically acceptable salt thereof: processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as modulators of dopamine D3 receptors, e.g. to treat drug dependency, as antipsychotic agents, to treat obsessive compulsive spectrum disorders, premature ejaculation or cognition impairment.

  本发明涉及化合物的新型公式（I）或其药学上可接受的盐：制备它们的过程，用于这些过程的中间体，包含它们的制药组合物以及它们作为多巴胺D3受体调节剂的治疗用途，例如治疗药物依赖，作为抗精神病药物，治疗强迫症谱系障碍，早泄或认知障碍。
• WO2006/109190
  申请人：——

  公开号：——

  公开（公告）日：——
• Synthesis of novel 1,4-benzoxazin-3-one derivatives as inhibitors against tyrosine kinases
  作者：Takahiro Honda、Takahiro Terao、Hiroyuki Aono、Masakazu Ban

  DOI：10.1016/j.bmc.2008.11.060

  日期：2009.1

  We designed and synthesized a novel 1,4-benzoxazin-3-one derivative 4 which would have inhibitory activities against tyrosine kinases. They could be synthesized easily from various carboxylic acids 10 and commercially available amines using TFP resin without purification. In this article, we will report the design and synthesis of a novel 1,4-benzoxazin-3-one chemical library 4 and the inhibitory activities against KDR and ABL which are closely related to chronic diseases such as cancer. (C) 2008 Elsevier Ltd. All rights reserved.