2-hydroxy-4-{[(7-methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3-carbonyl)-amino]-methyl}-benzoic acid methyl ester | 1164275-23-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-hydroxy-4-{[(7-methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3-carbonyl)-amino]-methyl}-benzoic acid methyl ester
• 英文别名: methyl 2-hydroxy-4-[[(7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carbonyl)amino]methyl]benzoate
• CAS: 1164275-23-3
• 化学式: C₂₅H₂₈N₂O₇
• 分子量: 468.507
• InChiKey: MDDDOAKSFAOSKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  123
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• Multitarget Compounds Active at a PPAR and Cannabinoid Receptor
  申请人：Desreumaux Pierre

  公开号：US20110039808A1

  公开（公告）日：2011-02-17

  There is a need for pharmaceutical compounds which have activity at, at least one of a PPAR and a cannabinoid receptor. Thus there are provided such compounds, wherein the compound comprises: a PPAR pharmacophore and a cannabinoid pharmacophore linked together by a moiety comprising a fused bicyclic ring comprising a five membered ring fused with a six membered ring or a six membered ring fused with a six membered ring; wherein the cannabinoid pharmacophore comprises the fused bicyclic ring; and the PPAR pharmacophore comprises a salicylic acid, alkoxybenzylacetic acid or a alkoxyphenylacetic acid functionality; and wherein the PPAR pharmacophore is linked to the bicyclic ring of the cannabinoid pharmacophore through a linker comprising an amine or an amide functional group.

  需要具有至少一种PPAR和大麻受体活性的药物化合物。因此提供了这样的化合物，其中该化合物包括：由包含一个五元环与一个六元环或一个六元环与一个六元环融合的融合双环环的基团连接在一起的PPAR药效团和大麻药效团；其中大麻药效团包括融合双环环；而PPAR药效团包括水杨酸、烷氧基苯乙酸或烷氧基苯乙酸官能团；PPAR药效团通过包含胺基或酰胺官能团的连接物连接到大麻药效团的双环环上。
• MULTITARGET COMPOUNDS ACTIVE AT A PPAR AND CANNABINOID RECEPTOR
  申请人：Giuliani International Limited

  公开号：EP2222287A2

  公开（公告）日：2010-09-01
• [EN] RECEPTOR TARGETING LIGANDS<br/>[FR] LIGANDS DE CIBLAGE DE RÉCEPTEURS
  申请人：GIULIANI INT LTD

  公开号：WO2009080821A2

  公开（公告）日：2009-07-02

  There is a need for pharmaceutical compounds which have activity at, at least one of a PPAR and a cannabinoid receptor. Thus there are provided such compounds, wherein the compound comprises: a PPAR pharmacophore and a cannabinoid pharmacophore linked together by a moiety comprising a fused bicyclic ring comprising a five membered ring fused with a six membered ring or a six membered ring fused with a six membered ring; wherein the cannabinoid pharmacophore comprises the fused bicyclic ring; and the PPAR pharmacophore comprises a salicylic acid, alkoxybenzylacetic acid or a alkoxyphenylacetic acid functionality; and wherein the PPAR pharmacophore is linked to the bicyclic ring of the cannabinoid pharmacophore through a linker comprising an amine or an amide functional group.