摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

methyl 4-(3-bromo-4-fluorophenyl)-2-methyl-5-oxo-1,5,7,8-tetrahydro-4H-pyrano[4,3-b]pyridine-3-carboxylate | 371779-62-3

中文名称
——
中文别名
——
英文名称
methyl 4-(3-bromo-4-fluorophenyl)-2-methyl-5-oxo-1,5,7,8-tetrahydro-4H-pyrano[4,3-b]pyridine-3-carboxylate
英文别名
4-(3-bromo-4-fluorophenyl)-3-methoxycarbonyl-2-methyl-1,4,7,8-tetrahydro-5H-pyrano[4,3-b]pyridin-5-one;methyl 4-(3-bromo-4-fluorophenyl)-2-methyl-5-oxo-1,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate
methyl 4-(3-bromo-4-fluorophenyl)-2-methyl-5-oxo-1,5,7,8-tetrahydro-4H-pyrano[4,3-b]pyridine-3-carboxylate化学式
CAS
371779-62-3
化学式
C17H15BrFNO4
mdl
——
分子量
396.213
InChiKey
WSBFCYGDTIQNTP-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    530.4±50.0 °C(Predicted)
  • 密度:
    1.57±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    3
  • 重原子数:
    24
  • 可旋转键数:
    3
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.29
  • 拓扑面积:
    64.6
  • 氢给体数:
    1
  • 氢受体数:
    6

反应信息

  • 作为反应物:
    描述:
    methyl 4-(3-bromo-4-fluorophenyl)-2-methyl-5-oxo-1,5,7,8-tetrahydro-4H-pyrano[4,3-b]pyridine-3-carboxylate吡啶 、 pyridinium hydrobromide perbromide 作用下, 以 氯仿 为溶剂, 反应 24.0h, 以0.050 g的产率得到8-(3-Bromo-4-fluorophenyl)-5,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10-dione
    参考文献:
    名称:
    Synthesis and Structure−Activity Relationships of a Novel Series of Tricyclic Dihydropyridine-Based KATP 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:
    5,6-dihydro-2H-pyran-2,4-dionemethyl (E)-3-aminocrotonate3-溴-4-氟苯甲醛乙醇 为溶剂, 反应 60.0h, 以0.12 g的产率得到methyl 4-(3-bromo-4-fluorophenyl)-2-methyl-5-oxo-1,5,7,8-tetrahydro-4H-pyrano[4,3-b]pyridine-3-carboxylate
    参考文献:
    名称:
    Synthesis and Structure−Activity Relationships of a Novel Series of Tricyclic Dihydropyridine-Based KATP 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
点击查看最新优质反应信息

文献信息

  • Dihydronaphthyridine potassium channel openers
    申请人:——
    公开号:US20020099070A1
    公开(公告)日:2002-07-25
    Compounds of formula I 1 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.
    化合物I1的公式在治疗由钾通道开放剂预防或改善的疾病中很有用。还公开了钾通道开放组合物和在哺乳动物中开放钾通道的方法。
  • DIHYDRONAPHTHYRIDINE- AND DIHYDROPYRROLOPYRIDINE-DERIVATED COMPOUNDS AS POTASSIUM CHANNEL OPENERS
    申请人:ABBOTT LABORATORIES
    公开号:EP1307453A2
    公开(公告)日:2003-05-07
  • [EN] DIHYDRONAPHTHYRIDINE POTASSIUM CHANNEL OPENERS<br/>[FR] COMPOSITIONS UTILES POUR OUVRIR DES CANAUX POTASSIUM AU DIHYDRONAPHTHYRIDINE
    申请人:ABBOTT LAB
    公开号:WO2002010164A2
    公开(公告)日:2002-02-07
    Compounds of formula (I) wherein in R2 and R3, together with the carbon atoms to which each is attached, are a ring selected from the group consisting of (II, III, IV, V) 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.
  • Synthesis and Structure−Activity Relationships of a Novel Series of Tricyclic Dihydropyridine-Based K<sub>ATP</sub> Openers That Potently Inhibit Bladder Contractions in Vitro
    作者:William A. Carroll、Konstantinos A. Agrios、Robert J. Altenbach、Steven A. Buckner、Yiyuan Chen、Michael J. Coghlan、Anthony V. Daza、Irene Drizin、Murali Gopalakrishnan、Rodger F. Henry、Michael E. Kort、Philip R. Kym、Ivan Milicic、Jamie C. Smith、Rui Tang、Sean C. Turner、Kristi L. Whiteaker、Henry Zhang、James P. Sullivan
    DOI:10.1021/jm030357o
    日期:2004.6.1
    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.
查看更多