1-(2,3-Dichloro-phenyl)-1H-[1,2,4]triazole | 936220-66-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2,3-Dichloro-phenyl)-1H-[1,2,4]triazole
• 英文别名: 1-(2,3-Dichlorophenyl)-1H-1,2,4-triazole；1-(2,3-dichlorophenyl)-1,2,4-triazole
• CAS: 936220-66-5
• 化学式: C₈H₅Cl₂N₃
• 分子量: 214.054
• InChiKey: UNXMDTPKGNYQLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2,3-Dichloro-phenyl)-1H-[1,2,4]triazole 在 过氧化苯甲酰 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 反应 12.0h， 生成 5-Bromo-1-(2,3-dichloro-phenyl)-1H-[1,2,4]triazole
  参考文献：
  名称：

  P2X7 receptor antagonists and methods of use

  摘要：

  这项发明涉及具有化学式(I)或(II)的P2X7拮抗剂化合物，或其药学上可接受的盐、前药、前药的盐或二者的组合，其中R1、R2和R3在规范中有定义。该发明还涉及一种选择性抑制P2X7活性的方法，包括向需要此类治疗的患者施用化合物的治疗有效量，其化学式为(III)、(IV)或(V)，其中R6、R7、R8、R9、R10和R11在规范中有定义。

  公开号：

  US20070105842A1
• 作为产物：
  描述：

  (2,3-二氯苯基)肼 、 formamide 反应 16.0h， 以72%的产率得到1-(2,3-Dichloro-phenyl)-1H-[1,2,4]triazole
  参考文献：
  名称：

  Synthesis and in vitro activity of 1-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-5-amine and 4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-4H-1,2,4-triazol-3-amine P2X7 antagonists

  摘要：

  A novel series of aminotriazole-based P2X(7) antagonists was synthesized, and their structure-activity relationships (SAR) were investigated for activity at both human and rat P2X7 receptors. Most compounds showed greater potency at the human receptor although several analogs were discovered with potent activity (pIC(50) >= 7.5) at both human and rat P2X7. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.095

文献信息

• P2X7 receptor antagonists and methods of use
  申请人：Carroll A. William

  公开号：US20070105842A1

  公开（公告）日：2007-05-10

  The invention is directed to compounds that are P2X 7 antagonist and have the formula (I) or (II) or a pharmaceutically acceptable salt, prodrug, salt of a prodrug or a combination thereof, wherein R 1 , R 2 , and R 3 are defined in the specification. The invention is also directed to a method of selectively inhibiting P2X 7 activity comprising administering to a patient in need of such treatment a therapeutically effective amount of a compound of formula (III), (IV) or (V) wherein R 6 , R 7 , R 8 , R 9 , R 10 , and R 11 are defined in the specification.

  这项发明涉及具有化学式(I)或(II)的P2X7拮抗剂化合物，或其药学上可接受的盐、前药、前药的盐或二者的组合，其中R1、R2和R3在规范中有定义。该发明还涉及一种选择性抑制P2X7活性的方法，包括向需要此类治疗的患者施用化合物的治疗有效量，其化学式为(III)、(IV)或(V)，其中R6、R7、R8、R9、R10和R11在规范中有定义。
• IMAGING THE CENTRAL NERVOUS SYSTEM WITH PURINERGIC P2X7 RECEPTOR BINDING AGENTS
  申请人：Jackson ALexander

  公开号：US20120034165A1

  公开（公告）日：2012-02-09

  The present invention provides novel compounds which may be used as in vivo imaging agents. The compounds of the invention are useful in a method to image the expression of P2X7 receptors in a subject, as a means to facilitate the diagnosis of a range of disease states.

  本发明提供了一种新的化合物，可用作体内成像剂。该发明的化合物可用于成像受试者中P2X7受体的表达，作为一种方法，以促进一系列疾病状态的诊断。
• US7709469B2
  申请人：——

  公开号：US7709469B2

  公开（公告）日：2010-05-04
• [EN] IMAGING THE CENTRAL NERVOUS SYSTEM WITH PURINERGIC P2X7 RECEPTOR BINDING AGENTS<br/>[FR] IMAGERIE DU SYSTÈME NERVEUX CENTRAL À L'AIDE D'AGENTS DE LIAISON AUX RÉCEPTEURS P2X7 PURINERGIQUES
  申请人：GE HEALTHCARE LTD

  公开号：WO2010115881A1

  公开（公告）日：2010-10-14

  The present invention provides novel compounds which may be used as in vivo imaging agents. The compounds of the invention are useful in a method to image the expression of P2X7 receptors in a subject, as a means to facilitate the diagnosis of a range of disease states.
• Synthesis and in vitro activity of 1-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-5-amine and 4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-4H-1,2,4-triazol-3-amine P2X7 antagonists
  作者：Alan S. Florjancic、Sridhar Peddi、Arturo Perez-Medrano、Biqin Li、Marian T. Namovic、George Grayson、Diana L. Donnelly-Roberts、Michael F. Jarvis、William A. Carroll

  DOI：10.1016/j.bmcl.2008.01.095

  日期：2008.3

  A novel series of aminotriazole-based P2X(7) antagonists was synthesized, and their structure-activity relationships (SAR) were investigated for activity at both human and rat P2X7 receptors. Most compounds showed greater potency at the human receptor although several analogs were discovered with potent activity (pIC(50) >= 7.5) at both human and rat P2X7. (c) 2008 Elsevier Ltd. All rights reserved.