2,8-dibenzyl-5-(3-bromo-4-fluorophenyl)-2,3,5,8,9,10-hexahydropyrido[3,4-b][1,7]naphthyridine-4,6(1H,7H)-dione | 265320-91-0

• 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: 2,8-dibenzyl-5-(3-bromo-4-fluorophenyl)-2,3,5,8,9,10-hexahydropyrido[3,4-b][1,7]naphthyridine-4,6(1H,7H)-dione
• 英文别名: 2.8-dibenzyl-5-(3-bromo-4-fluorophenyl)-2,3,5,8,9,10-hexahydropyrido[3,4-b][1,7]naphthyridine-4,6(1H, 7H)-dione；2,8-Dibenzyl-5-(3-bromo-4-fluorophenyl)-1,3,5,7,9,10-hexahydropyrido[3,4-b][1,7]naphthyridine-4,6-dione
• CAS: 265320-91-0
• 化学式: C₃₁H₂₇BrFN₃O₂
• 分子量: 572.477
• InChiKey: AEGCVPHGSXGODR-UHFFFAOYSA-N

物化性质

• 沸点：
  692.5±55.0 °C(predicted)
• 密度：
  1.49±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  52.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,8-dibenzyl-5-(3-bromo-4-fluorophenyl)-2,3,5,8,9,10-hexahydropyrido[3,4-b][1,7]naphthyridine-4,6(1H,7H)-dione 在 盐酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 27.0h， 生成 5-(3-bromo-4-fluorophenyl)-2,3,5,8,9,10-hexahydropyrido[3,4-b][1,7]naphthyridine-4,6(1H,7H)-dione dihydrochloride
  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
• 作为产物：
  描述：

  1-苄基-3,5-哌啶二酮 、 3-溴-4-氟苯甲醛 在 氨 作用下， 以 甲醇 为溶剂， 反应 72.0h， 以0.62 g的产率得到2,8-dibenzyl-5-(3-bromo-4-fluorophenyl)-2,3,5,8,9,10-hexahydropyrido[3,4-b][1,7]naphthyridine-4,6(1H,7H)-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

• Pyrano, piperidino, and thiopyrano compounds and methods of use
  申请人：Abbott Laboratories

  公开号：US06191140B1

  公开（公告）日：2001-02-20

  The present invention provides novel compounds of formula I which may be useful in hyperpolarizing cell membranes, opening potassium channels, relaxing smooth muscle cells, and inhibiting bladder contractions.

  本发明提供了一种新型的化合物，可能在超极化细胞膜、打开钾通道、放松平滑肌细胞和抑制膀胱收缩方面有用，其化学式为I。
• PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE
  申请人：ABBOTT LABORATORIES

  公开号：EP1124828B1

  公开（公告）日：2008-01-02
• US6191140B1
  申请人：——

  公开号：US6191140B1

  公开（公告）日：2001-02-20