9-(3-bromo-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-cyclopenta[b][1,6]naphthyridine-1,8-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 9-(3-bromo-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-cyclopenta[b][1,6]naphthyridine-1,8-dione
• 化学式: C₁₇H₁₄BrFN₂O₂
• 分子量: 377.213
• InChiKey: MFSJYDLDZKIFLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氨基环戊-2-烯-1-酮 、 3-溴-4-氟苯甲醛 、 2,4-哌啶二酮 以 乙醇 为溶剂， 反应 60.0h， 以122 mg的产率得到9-(3-bromo-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-cyclopenta[b][1,6]naphthyridine-1,8-dione
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationships of a Novel Series of Tricyclic Dihydropyridine-Based K_ATP Openers That Potently Inhibit Bladder Contractions in Vitro

  摘要：

  Structure-activity relationships were investigated on a novel series of tricyclic dihydropyridine-containing K-ATP openers. This diverse group of analogues, comprising a variety of heterocyclic rings fused to the dihydropyridine nucleus, was designed to determine the influence on activity of hydrogen-bond-donating and -accepting groups and their stereochemical disposition. Compounds were evaluated for K-ATP activity in guinea pig bladder cells using a fluorescence-based membrane potential assay and in a pig bladder strip assay. The inhibition of spontaneous bladder contractions in vitro was also examined for a subset of compounds. All compounds studied showed greater potency to inhibit spontaneous bladder contractions relative to their potencies to inhibit contractions elicited by electrical stimulation.

  DOI：

  10.1021/jm030357o

文献信息

• DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE
  申请人：Abbott Laboratories

  公开号：EP1278746A2

  公开（公告）日：2003-01-29
• [EN] DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSES DE DIHYDROPYRIDINE ET PROCEDES D'UTILISATION
  申请人：ABBOTT LAB

  公开号：WO2001083480A2

  公开（公告）日：2001-11-08

  Compounds having the formula (I) are useful in treating diseases prevented by or ameliorated with potassium channel openers. Also disclosed are potassium channel opening compositions and a method of opening potassium channels in a mammal.