5-n-butyl-2-(4-trifluoromethylphenyl)pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine

• 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-n-butyl-2-(4-trifluoromethylphenyl)pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine
• 英文别名: 5-Butyl-2-(4-trifluoromethyl-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine；7-butyl-4-[4-(trifluoromethyl)phenyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
• 化学式: C₁₇H₁₅F₃N₆
• 分子量: 360.342
• InChiKey: IOGBBWGNBNVHQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  原戊酸三甲酯 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 5-n-butyl-2-(4-trifluoromethylphenyl)pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine
  参考文献：
  名称：

  Facile synthesis of fused 1,2,4-triazolo[1,5-c]pyrimidine derivatives as human adenosine A3 receptor ligands

  摘要：

  A facile synthetic method for fused triazolopyrimidine derivatives having high affinity and selectivity for human adenosine A(3) receptors is reported. The fused triazolopyrimidine derivatives were easily prepared by one-pot reaction using acylhydrazines and imidates prepared from amine derivatives bearing cyano group and orthoesters in situ. This synthetic method was useful in finding new tricyclic adenosine A3 receptor antagonists and also in diversifying the substituents at two positions on the fused triazolopyrimidine ring. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.010

文献信息

• Triazoloquinazoline and pyrazolotriazolopyrimidine derivatives, medicinal compositions, adenosine a3 receptor affinity agents, ocular tension lowering agents, preparations for preventing and treating glaucoma and method of lowering ocular tension
  申请人：——

  公开号：US20040142952A1

  公开（公告）日：2004-07-22

  The present invention provides triazoloquinazoline and pyrazolotriazolopyrimidine derivatives represented by the following general formula (1): 1 wherein R 1 and R 2 represent the same groups as those described in the description; and A represents a pyrazole or benzene ring which is optionally substituted with the groups described in the description. These derivatives exhibit an affinity to an adenosine A3 receptor and also have an intraocular-pressure reducing effect, and are useful for prevention or treatment of glaucoma.

  本发明提供了由下列通式（1）表示的三唑喹噁啉和吡唑三唑并嘧啶衍生物： 其中，R1和R2表示与说明中描述的相同的基团；A表示可选地取代了说明中描述的基团的吡唑或苯环。这些衍生物表现出对腺苷A3受体的亲和力，并具有降低眼内压的作用，可用于预防或治疗青光眼。
• TRIAZOLOQUINAZOLINE AND PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES, MEDICINAL COMPOSITIONS, ADENOSINE A3 RECEPTOR AFFINITY AGENTS, OCULAR TENSION LOWERING AGENTS, PREPARATIONS FOR PREVENTING AND TREATING GLAUCOMA AND METHOD OF LOWERING OCULAR TENSION
  申请人：OTSUKA PHARMACEUTICAL FACTORY, INC.

  公开号：EP1364953A1

  公开（公告）日：2003-11-26

  The present invention provides triazoloquinazoline and pyrazolotriazolopyrimidine derivatives represented by the following general formula (1): wherein R1 and R2 represent the same groups as those described in the description; and A represents a pyrazole or benzene ring which is optionally substituted with the groups described in the description. These derivatives exhibit an affinity to an adenosine A3 receptor and also have an intraocular-pressure reducing effect, and are useful for prevention or treatment of glaucoma.

  本发明提供由以下通式(1)代表的三唑并喹唑啉和吡唑并三唑嘧啶衍生物： 其中，R1 和 R2 代表与描述中所述相同的基团；A 代表吡唑或苯环，该环可选地被描述中所述的基团取代。这些衍生物对腺苷 A3 受体具有亲和力，还具有降低眼压的作用，可用于预防或治疗青光眼。