1-(7-hydroxy-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-octadeca-9,12-dien-1-one | 950676-15-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 1-(7-hydroxy-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-octadeca-9,12-dien-1-one
• CAS: 950676-15-0
• 化学式: C₂₉H₄₅NO₃
• 分子量: 455.681
• InChiKey: KEMCWDLEVDMRII-MURFETPASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.66
• 重原子数：
  33.0
• 可旋转键数：
  15.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  49.77
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  (Z,Z)-9,12-十八烷二烯酸二聚物 、 N-Nor-1-methylcorypalline hydrochloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以49%的产率得到1-(7-hydroxy-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-octadeca-9,12-dien-1-one
  参考文献：
  名称：

  Fatty acyl amides of endogenous tetrahydroisoquinolines are active at the recombinant human TRPV1 receptor

  摘要：

  The SAR of capsazepine revealed that tetrahydroisoquinoline (TIQ) moiety is a core pharmacophore of TRPV1 activity. This implied that conjugates of endogenous TIQs with fatty acids would be active at TRPV1 receptors. Six such compounds were synthesized and tested for calcium mobilization at recombinant TRPV1 receptors overexpressed in HEK293 cells. Three compounds showed partial TRPV1 agonism with EC50 values in the low micromolar range and maximal efficacies between 25% and 55% of capsaicin. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.06.032