4-((4aR,5S,10bR)-3,4,4a,5,6,10b-hexahydro-9-methyl-2H-pyrano[3,2-c]quinolin-5-yl)-3-methylbenzoic acid | 1465295-87-7

• 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: 4-((4aR,5S,10bR)-3,4,4a,5,6,10b-hexahydro-9-methyl-2H-pyrano[3,2-c]quinolin-5-yl)-3-methylbenzoic acid
• 英文别名: 4-[(4aR,5S,10bR)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]-3-methylbenzoic acid
• CAS: 1465295-87-7
• 化学式: C₂₁H₂₃NO₃
• 分子量: 337.419
• InChiKey: QVZVPMULRHGZFM-NSISKUIASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl 4-((4aR,5S,10bR)-3,4,4a,5,6,10b-hexahydro-9-methyl-2H-pyrano[3,2-c]quinolin-5-yl)-3-methylbenzoate 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 40.0h， 以47%的产率得到4-((4aR,5S,10bR)-3,4,4a,5,6,10b-hexahydro-9-methyl-2H-pyrano[3,2-c]quinolin-5-yl)-3-methylbenzoic acid
  参考文献：
  名称：

  Niño, Patricia; Caba, Marta; Aguilar, Nuria, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2016, vol. 55B, # 11, p. 1384 - 1399

  摘要：

  DOI：

文献信息

• Substituted tricyclic compounds with activity towards ep1 receptors
  申请人：Almirall, S.A.

  公开号：EP2647638A1

  公开（公告）日：2013-10-09

  The present invention belongs to the field of EP1 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP1 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP1 receptor as well as to pharmaceutical compositions comprising them.

  本发明属于EP1受体配体领域。更具体地，它涉及具有对EP1受体具有很高亲和力和选择性的一般式(I)化合物。该发明还涉及它们的制备过程，以及它们作为治疗和/或预防由EP1受体介导的疾病或紊乱的药物的用途，以及包含它们的药物组合物。
• [EN] SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS<br/>[FR] COMPOSÉS TRICYCLIQUES SUBSTITUÉS POSSÉDANT UNE ACTIVITÉ CONTRE LES RÉCEPTEURS EP1
  申请人：ALMIRALL SA

  公开号：WO2013149996A1

  公开（公告）日：2013-10-10

  The present invention belongs to the field of EPl receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EPl receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EPl receptor as well as to pharmaceutical compositions comprising them.