6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-phenyl-2-piperidin-1-ylpyrimidine-4,6-diamine | 1350641-06-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-phenyl-2-piperidin-1-ylpyrimidine-4,6-diamine
• CAS: 1350641-06-3
• 化学式: C₂₃H₂₅N₅O₂
• 分子量: 403.484
• InChiKey: VRPWYYDLFHPJML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  71.5
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (2,6-二氯-4-嘧啶)-苯胺 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium tert-butylate 、 N,N-二异丙基乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 、 正丁醇 为溶剂， 生成 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-phenyl-2-piperidin-1-ylpyrimidine-4,6-diamine
  参考文献：
  名称：

  Synthesis and biological evaluation of novel pyrimidine derivatives as sub-micromolar affinity ligands of GalR2

  摘要：

  GalR1 and GalR2 represent unique pharmacological targets for treatment of seizures and epilepsy. A novel series of 2,4,6-triaminopyrimidine derivatives were synthesized and found to have sub-micromolar affinity for GalR2. Optimization of a series of 2,4,6-triaminopyrimidines led to the discovery of several analogs with IC50 values ranging from 0.3 to 1 mu M. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.033

文献信息

• [EN] PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS<br/>[FR] MODULATEURS DES RÉCEPTEURS À LA GALANINE PEPTIDOMIMÉTIQUES
  申请人：ROBERTS EDWARD

  公开号：WO2012009258A2

  公开（公告）日：2012-01-19

  Potent and effective modulators of galanin receptors such as Ga1R1 and Ga1R2 are provided. Methods of preparation and methods of use are further provided. The compounds of the invention may be effective for treatment of malconditions in human patients including epilepsy or seizure disorders, mood disorders including depression and anxiety spectrum disorders; drug addiction including addiction to alcohol or tobacco; autistic spectrum diseases and pervasive development disorders; Alzheimer's disease or other dementias; cognition disorders; cerebral or myocardial stroke; demyelinating diseases including multiple sclerosis, Guillain-Barre syndrome and Charcot-Marie-Tooth disease; neurodegenerative diseases including Parkinson's disease, Lou Gehrig's diseases, Huntington's disease, and HIV dementia; neurotrauma; diabetes, obesity, metabolic syndrome and feeding disorders; solid tumors and leukemia/lymphoma; pain; neuropathies; sleeping disorders and regulation; neuroprotection; and inflammation.
• Synthesis and biological evaluation of novel pyrimidine derivatives as sub-micromolar affinity ligands of GalR2
  作者：Vasudeva Naidu Sagi、Tianyu Liu、Xiaoying Lu、Tamas Bartfai、Edward Roberts

  DOI：10.1016/j.bmcl.2011.09.033

  日期：2011.12

  GalR1 and GalR2 represent unique pharmacological targets for treatment of seizures and epilepsy. A novel series of 2,4,6-triaminopyrimidine derivatives were synthesized and found to have sub-micromolar affinity for GalR2. Optimization of a series of 2,4,6-triaminopyrimidines led to the discovery of several analogs with IC50 values ranging from 0.3 to 1 mu M. (C) 2011 Elsevier Ltd. All rights reserved.