CUMI-101 | 179756-61-7

• 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: CUMI-101
• 英文别名: MMP；4-methyl-2-(4-(4-(2-methoxyphenyl)piperazino)butyl)-3,5-dioxo-(2H,4H)-1,2,4-triazine；2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione；Unii-N4Y2V13I7F；2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
• CAS: 179756-61-7
• 化学式: C₁₉H₂₇N₅O₃
• 分子量: 373.455
• InChiKey: MEKSQRMXWZHFIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  68.7
• 氢给体数：
  0
• 氢受体数：
  6

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-(2-甲氧苯基)哌嗪 在 sodium iodide 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.5h， 生成 CUMI-101
  参考文献：
  名称：

  Synthesis and evaluation of arylpiperazines derivatives of 3,5-dioxo-(2 H ,4 H )-1,2,4-triazine as 5-HT 1A R ligands

  摘要：

  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.

  DOI：

  10.1016/j.bmcl.2014.07.048

文献信息

• [EN] RADIOLABELED COMPOUNDS AND METHODS THEREOF<br/>[FR] COMPOSÉS RADIOMARQUÉS ET LEURS PROCÉDÉS
  申请人：GE HEALTHCARE LTD

  公开号：WO2011150183A1

  公开（公告）日：2011-12-01

  The present invention relates to radiodiagnostic compounds, methods of making those compounds, and methods of use thereof as imaging agents for preferably a HA serotonin 5-HT1A receptor for use in PET or SPECT, preferably PET. Compositions comprising an imaging-effective amount of radiolabeled compounds are also disclosed. The present invention also relates to non-radiolabeled compounds, methods of making those compounds, and methods of use thereof to treat various neurological and/or psychiatric disorders.

  本发明涉及放射诊断化合物，制备这些化合物的方法，以及将其用作HA血清素5-HT1A受体的成像剂，用于PET或SPECT，更好地使用PET的方法。还披露了包含放射标记化合物的成像有效量的组合物。本发明还涉及非放射标记化合物，制备这些化合物的方法，以及将其用于治疗各种神经学和/或精神疾病的方法。
• RADIOLABELED COMPOUNDS AND METHODS THEREOF
  申请人：Newington Ian Martin

  公开号：US20130064770A1

  公开（公告）日：2013-03-14

  The present invention relates to radiodiagnostic compounds, methods of making those compounds, and methods of use thereof as imaging agents for preferably a HA serotonin 5-HT1A receptor for use in PET or SPECT, preferably PET. Compositions comprising an imaging-effective amount of radiolabeled compounds are also disclosed. The present invention also relates to non-radiolabeled compounds, methods of making those compounds, and methods of use thereof to treat various neurological and/or psychiatric disorders.

  本发明涉及放射性诊断化合物、制备这些化合物的方法以及将其用作成像剂的方法，优选地用于PET或SPECT，特别是HA 5-HT1A受体，其中包括成像有效量的放射性标记化合物的组合物。本发明还涉及非放射性标记化合物、制备这些化合物的方法以及将其用于治疗各种神经和/或精神障碍的方法。
• NOUVEAUX DERIVES DE 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINES, LEUR PREPARATION ET LEUR APPLICATION A TITRE DE MEDICAMENT
  申请人：PIERRE FABRE MEDICAMENT

  公开号：EP0794949A1

  公开（公告）日：1997-09-17
• 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.
• METHOD OF DIAGNOSING DEPRESSION BY PET IMAGING
  申请人：PARSEY Ramin

  公开号：US20170071522A1

  公开（公告）日：2017-03-16

  The present invention provides a method of determining whether a subject is afflicted with a depressive disorder comprising: (i) introducing into the subject a positron emission tomography (PET) radioligand capable of binding with a serotonin 5-HT 1A receptor; (ii) performing one or more PET scans of the subject; (iii) determining, by analysis of the one or more PET images, a receptor binding potential of the PET radioligand for the serotonin 5-HT 1A receptor in a region of interest in the subject; (iv) comparing the receptor binding potential value of the PET radioligand in the region of interest in the subject to a predetermined receptor binding potential threshold value; and (v) classifying the subject as having the depressive disorder or as not having the depressive disorder based on the comparison of step (iv), thereby determining whether the subject is afflicted with the depressive disorder.