| 1279654-79-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1279654-79-3
• 化学式: C₂₀H₂₁N₃O₃
• 分子量: 351.405
• InChiKey: SDPLYTILBVOBQB-UHFFFAOYSA-N

反应信息

• 作为产物：
  描述：

  在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 以91%的产率得到
  参考文献：
  名称：

  Discovery and SAR of a Series of Agonists at Orphan G Protein-Coupled Receptor 139

  摘要：

  GPR139 is an orphan G-protein coupled receptor (GPCR) Which is primarily expressed in the central nervous system (CNS). In order to explore the biological function of this receptor, selective tool compounds are required. A screening campaign identified compound 1a as a high potency PR139 agonist with an EC(50) = 39 nM in a calcium mobilization assay in CHO-K1 cells stably expressing the GPR139 receptor. In the absence of a known endogenous ligand, the maximum effect was set as 100% for 1a. Screening against 90 diverse targets revealed no cross-reactivity issues. Assessment of the pharmacokinetic properties showed limited utility,as in vivo tool compound in rat with a poor whole brain exposure of 61 ng/g and a brain/plasma (b/p) ratio of 0.03. Attempts to identify a more suitable analogue identified the des-nitrogen analogue is with a reduced polar surface area of 76.7 angstrom(2) and an improved b/p ratio of 2.8. The whole brain exposure remained low at 95 ng/g due to a low plasma exposure.

  DOI：

  10.1021/ml100293q