2-benzyl-5-(3-bromo-4-fluorophenyl)-2,3,5,7,8,9-hexahydro-1H-cyclopenta[b][1,7]naphthyridine-4,6-dione | 265320-93-2

• 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-benzyl-5-(3-bromo-4-fluorophenyl)-2,3,5,7,8,9-hexahydro-1H-cyclopenta[b][1,7]naphthyridine-4,6-dione
• 英文别名: 2-benzyl-5-(3-bromo-4-fluorophenyl)-1,3,5,7,8,9-hexahydrocyclopenta[b][1,7]naphthyridine-4,6-dione
• CAS: 265320-93-2
• 化学式: C₂₄H₂₀BrFN₂O₂
• 分子量: 467.337
• InChiKey: PCUVTOSNIDOOTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-benzyl-5-(3-bromo-4-fluorophenyl)-2,3,5,7,8,9-hexahydro-1H-cyclopenta[b][1,7]naphthyridine-4,6-dione 在 氢溴酸 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 120.0h， 生成 (-)-5-(3-bromo-4-fluorophenyl)-2,3,5,7,8,9-hexahydro-1H-cyclopenta[b][1,7]naphthyridine-4,6-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
• 作为产物：
  描述：

  3-氨基环戊-2-烯-1-酮 、 3-溴-4-氟苯甲醛 以 乙醇 为溶剂， 生成 2-benzyl-5-(3-bromo-4-fluorophenyl)-2,3,5,7,8,9-hexahydro-1H-cyclopenta[b][1,7]naphthyridine-4,6-dione
  参考文献：
  名称：

  Pyrano, piperidino, and thiopyrano compounds and methods of use

  摘要：

  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。

  公开号：

  US06191140B1

文献信息

• Pyrano piperidino and thiopyrano compounds and methods of use
  申请人：——

  公开号：US20030055035A1

  公开（公告）日：2003-03-20

  1 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I，可用于超极化细胞膜、打开钾通道、放松平滑肌细胞和抑制膀胱收缩。
• PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE
  申请人：ABBOTT LABORATORIES

  公开号：EP1124828A1

  公开（公告）日：2001-08-22
• US6191140B1
  申请人：——

  公开号：US6191140B1

  公开（公告）日：2001-02-20
• US6642222B2
  申请人：——

  公开号：US6642222B2

  公开（公告）日：2003-11-04
• [EN] PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSES PYRANO, PIPERIDINO ET THIOPYRANO ET LEUR MODE D'UTILISATION
  申请人：ABBOTT LAB

  公开号：WO2000024743A1

  公开（公告）日：2000-05-04

  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.