DOP 106 | 915124-90-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: DOP 106
• 英文别名: 3-(5-(3-tert-butylphenyl)-3-((dimethylamino)methyl)-1H-1,2,4-triazol-1-yl)phenol；3-[5-(3-tert-butyl-phenyl)-3-dimethylaminomethyl-[1,2,4]triazole-1-yl]-phenol；3-[5-(3-tert-butylphenyl)-3-[(dimethylamino)methyl]-1,2,4-triazol-1-yl]phenol
• CAS: 915124-90-2
• 化学式: C₂₁H₂₆N₄O
• 分子量: 350.464
• InChiKey: KCSVGZNJLCJIMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  54.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (5-(3-tert-butylphenyl)-1-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 以78%的产率得到DOP 106
  参考文献：
  名称：

  Novel delta opioid receptor agonists exhibit differential stimulation of signaling pathways

  摘要：

  A novel family of 1,3,5-trisubstituted 1,2,4-triazoles was discovered as potent and selective ligands for the delta opioid receptor by rational design. Compound 5b exhibited low-nanomolar in vitro binding affinity (IC50 = 5.8 nM), excellent selectivity for the d opioid receptor over the alternative mu and kappa opioid receptors, full agonist efficacy in receptor down-regulation and MAP kinase activation assays, and low-efficacy partial agonist activity in stimulation of GTP gamma S binding. The apparent discrepancy observed in these functional assays may stem from different signaling pathways involved in each case, as found previously for other G-protein coupled receptors. More biological studies are underway to better understand the differential stimulation of signaling pathways by these novel compounds. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.07.007

文献信息

• OPIOID RECEPTOR SUBTYPE-SELECTIVE AGENTS
  申请人：Welsh William J.

  公开号：US20090181998A1

  公开（公告）日：2009-07-16

  Opioid receptor compounds and pharmaceutical compositions thereof are presented. Also presented are methods for treating a condition mediated by an opioid receptor by administering an effective amount of the opioid receptor compound to a patient in need thereof.
• US8188128B2
  申请人：——

  公开号：US8188128B2

  公开（公告）日：2012-05-29
• [EN] OPIOID RECEPTOR SUBTYPE-SELECTIVE AGENTS<br/>[FR] AGENTS SELECTIFS EN FONCTION DU SOUS-TYPE DE RECEPTEURS D'OPIATES
  申请人：UNIV NEW JERSEY MED

  公开号：WO2006124687A1

  公开（公告）日：2006-11-23

  [EN] Opioid receptor compounds and pharmaceutical compositions thereof are presented. Also presented are methods for treating a condition mediated by an opioid receptor by administering an effective amount of the opioid receptor compound to a patient in need thereof.
  [FR] L'invention concerne des composés à base de récepteurs d'opiatés et des compositions pharmaceutiques correspondantes. Elle concerne également des procédés pour traiter un état à médiation par un récepteur d'opiatés, qui consistent à administrer une quantité efficace du composé de récepteurs d'opiatés à un patient que le nécessite.