[3,3']-bipyridinyl-5-carboxylic acid ethyl ester | 484673-69-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [3,3']-bipyridinyl-5-carboxylic acid ethyl ester
• 英文别名: [3,3']Bipyridinyl-5-carboxylic acid ethyl ester；ethyl 5-pyridin-3-ylpyridine-3-carboxylate
• CAS: 484673-69-0
• 化学式: C₁₃H₁₂N₂O₂
• 分子量: 228.25
• InChiKey: RTHSJMMQOUQNPW-UHFFFAOYSA-N

物化性质

• 沸点：
  389.1±32.0 °C(Predicted)
• 密度：
  1.167±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [3,3']-bipyridinyl-5-carboxylic acid ethyl ester 在 sodium tetrahydroborate 、 草酰氯 、 三乙酰氧基硼氢化钠 、 溶剂黄146 、 二甲基亚砜 、 三乙胺 、 肼 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 52.0h， 生成 N1-([3,3']-bipyridin-5-ylmethyl)-N1-methylethane-1,2-diamine
  参考文献：
  名称：

  Synthesis and Antibacterial Activity of Novel C₁₂ Vinyl Ketolides

  摘要：

  A novel series Of C-12 vinyl erythromycin derivatives have been discovered which exhibit in vitro and in vivo potency against key respiratory pathogens. The C-12 modification involves replacing the natural C-12 methyl group in the erythromycin core with a vinyl group via chemical synthesis. From the C-12 vinyl macrolide core, a series Of C-12 vinyl ketolides was prepared. Several compounds were found to be potent against macrolide-sensitive and -resistant bacteria. The C-12 vinyl ketolides 6j and 6k showed a similar antimicrobial spectrum and comparable activity to the commercial ketolide telithromycin. However, the pharmacokinetic profiles Of C-12 vinyl ketolides 6j and 6k in rats differ from that of telithromycin by having higher lung-to-plasma ratios, larger volumes of distribution, and longer half-lives. These pharmacokinetic differences have a pharmacodynamic effect as both 6j and 6k exhibited better in vivo efficacy than telithromycin in rat lung infection models against Streptococcus pneumoniae and Haemophilus influenzae.

  DOI：

  10.1021/jm051157a
• 作为产物：
  描述：

  5-溴烟酸乙酯 、 二乙基(3-吡啶基)-硼烷 在 四(三苯基膦)钯 水 、 potassium carbonate 、 盐酸 、 碳酸氢钠 作用下， 以 四氢呋喃 、 水 、 乙酸乙酯 为溶剂， 反应 60.0h， 以82%的产率得到[3,3']-bipyridinyl-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  [EN] PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS
  [FR] ANTIBIOTIQUES A BASE DE KETOLIDE A SUBSTITUTION PYRIDYLE

  摘要：

  公开号：

  WO2004096822A3

文献信息

• C12 Modified erythromycin macrolides and ketolides having antibacterial activity
  申请人：——

  公开号：US20030125266A1

  公开（公告）日：2003-07-03

  Antimicrobial macrolide compounds are provided having formulas II: 1 as well as pharmaceutically acceptable salts, esters or prodrugs thereof; pharmaceutical compositions comprising such compounds; methods of treating bacterial infections by the administration of such compounds; and processes for the preparation of the compounds.

  提供具有II:1式的抗微生物大环内酯化合物，以及其药用盐、酯或前药；包含这类化合物的药物组合物；通过给予这类化合物治疗细菌感染的方法；以及这类化合物的制备方法。
• C12 modified erythromycin macrolides and ketolides having antibacterial activity
  申请人：Chiron Corporation

  公开号：US06756359B2

  公开（公告）日：2004-06-29

  Antimicrobial macrolide compounds are provided having formulas II: as well as pharmaceutically acceptable salts, esters or prodrugs thereof; pharmaceutical compositions comprising such compounds; methods of treating bacterial infections by the administration of such compounds; and processes for the preparation of the compounds.

  本发明提供具有II式的抗微生物大环内酯化合物，以及其药学上可接受的盐、酯或前药；包含这些化合物的药物组合物；通过给予这些化合物的途径治疗细菌感染的方法；以及制备这些化合物的过程。
• OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS
  申请人：SINGARAM Bakthan

  公开号：US20120009126A1

  公开（公告）日：2012-01-12

  The present invention concerns an improved optical method and optical sensing device for determining the levels of polyhydroxyl-substituted organic molecules in vitro and/or in vivo in aqueous media. The range of detection is between about 400 and 800 nm. In particular, a sensory devise is implemented in a mammal to determine sugar levels. Specifically, a dye is combined with a conjugated nitrogen-containing heterocyclic aromatic boronic acid-substituted bis-onium compound in the presence of a sugar, such as fructose or glucose. The viologens are preferred as the aromatic conjugated nitrogen-containing boronic acid substituted compounds. The method is useful to determine sugar levels in a human being.

  本发明涉及一种改进的光学方法和光学传感器装置，用于在体内和/或体外的水介质中确定多羟基取代有机分子的水平。检测范围在大约400到800纳米之间。特别地，实施了一种传感器装置在哺乳动物中，以确定糖的水平。具体地，将染料与含有硼酸取代的氮杂环芳香基双阳离子化合物结合，在存在糖，如果糖或葡萄糖的情况下。偏好使用紫罗兰作为芳香性共轭氮取代硼酸化合物。该方法对于确定人体内的糖水平非常有用。
• Boronic acid derivatives
  申请人：The Regents of The University of California

  公开号：EP2259061A2

  公开（公告）日：2010-12-08

  Embodiments of this invention relate to an improved optical method and/or sensor for measuring the concentration of polyhydroxy substituted organic molecules in aqueous or organic media. In one application, the method and sensor monitor the concentration of sugars, i.e., glucose or fructose, in aqueous solution in vitro. In particular, the method and sensor are adapted to monitor the concentration of sugars, i.e., glucose or fructose, in blood while implanted intravascularly.

  本发明的实施方案涉及一种改进的光学方法和/或传感器，用于测量水介质或有机介质中多羟基取代的有机分子的浓度。在一种应用中，该方法和传感器可在体外监测水溶液中糖（即葡萄糖或果糖）的浓度。特别是，该方法和传感器适用于在血管内植入时监测血液中糖（即葡萄糖或果糖）的浓度。
• POLYVIOLOGEN BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS
  申请人：MEDTRONIC MINIMED, INC.

  公开号：EP2222686B1

  公开（公告）日：2015-06-17