2-[4-[4-(4-Iodophenyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione | 1346454-25-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-[4-[4-(4-Iodophenyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
• CAS: 1346454-25-8
• 化学式: C₁₈H₂₄IN₅O₂
• 分子量: 469.325
• InChiKey: LQNJXFPHBLYRNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  59.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(4-chlorobutyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione 、 1-(4-碘苯基)哌嗪 在 sodium iodide 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.5h， 以80%的产率得到2-[4-[4-(4-Iodophenyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
  参考文献：
  名称：

  [EN] RADIOLABELED COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS RADIOMARQUÉS ET LEURS UTILISATIONS

  摘要：

  本发明涉及用氟、溴、碘、碳或氚同位素标记的放射性化合物，以及利用这些化合物治疗或预防受试者的精神障碍，稳定情绪障碍受试者的情绪，或作为血清素受体的成像剂的方法。还公开了包含成像有效量放射性标记化合物的组合物。

  公开号：

  WO2011140360A1

文献信息

• [EN] RADIOLABELED COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS RADIOMARQUÉS ET LEURS UTILISATIONS
  申请人：UNIV COLUMBIA

  公开号：WO2011140360A1

  公开（公告）日：2011-11-10

  The present invention relates to Radiolabeled Compounds labeled with fluorine, bromine, iodine, carbon, or tritium isotopes and methods of use thereof for treating or preventing a psychiatric disorder in a subject, for stabilizing the mood of a subject having a mood disorder, or as imaging agents for a serotonin receptor. Compositions comprising an imaging-effective amount of a Radiolabeled Compound are also disclosed.

  本发明涉及用氟、溴、碘、碳或氚同位素标记的放射性化合物，以及利用这些化合物治疗或预防受试者的精神障碍，稳定情绪障碍受试者的情绪，或作为血清素受体的成像剂的方法。还公开了包含成像有效量放射性标记化合物的组合物。
• RADIOLABELED COMPOUNDS AND USES THEREOF
  申请人：MANN Joseph John

  公开号：US20130156699A1

  公开（公告）日：2013-06-20

  The present invention relates to Radiolabeled Compounds labeled with fluorine, bromine, iodine, carbon, or tritium isotopes and methods of use thereof for treating or preventing a psychiatric disorder in a subject, for stabilizing the mood of a subject having a mood disorder, or as imaging agents for a serotonin receptor. Compositions comprising an imaging-effective amount of a Radiolabeled Compound are also disclosed.
• US9290463B2
  申请人：——

  公开号：US9290463B2

  公开（公告）日：2016-03-22
• Synthesis and evaluation of arylpiperazines derivatives of 3,5-dioxo-(2 H ,4 H )-1,2,4-triazine as 5-HT 1A R ligands
  作者：J.S. Dileep Kumar、Vattoly J. Majo、Jaya Prabhakaran、J. John Mann

  DOI：10.1016/j.bmcl.2014.07.048

  日期：2014.10

  5-HT1AR agonist or partial agonists are established drug candidates for psychiatric and neurological disorders. We have reported the synthesis and evaluation of a series of high affinity 5-HT1AR partial agonist PET imaging agents with greater selectivity over α-1AR. The characteristic of these molecules are 3,5-dioxo-(2H,4H)-1,2,4-triazine skeleton tethered to an arylpiperazine unit through an alkyl side chain. The most potent 5-HT1AR agonistic properties were found to be associated with the molecules bearing C-4 alkyl group as the linker. Therefore development of 3,5-dioxo-(2H,4H)-1,2,4-triazine bearing arylpiperazine derivatives may provide high affinity selective 5-HT1AR ligands. Herein we describe the synthesis and evaluation of the binding properties of a series of arylpiperazine analogues of 3,5-dioxo-(2H,4H)-1,2,4-triazine.