2-(2-碘苯氧基)乙酸乙酯 | 1027181-82-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(2-碘苯氧基)乙酸乙酯
• 英文名称: Acetic acid 2-(2-iodo-phenoxy)-ethyl ester
• 英文别名: 2-(2-Iodophenoxy)-ethyl acetate；2-(2-iodophenoxy)ethyl acetate
• CAS: 1027181-82-3
• 化学式: C₁₀H₁₁IO₃
• 分子量: 306.1
• InChiKey: LBCKXIRIZUYYTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-碘苯氧基)乙酸乙酯 在 sodium hydroxide 、 potassium phosphate 、 四(三苯基膦)钯 、 硼酸三甲酯 、 叔丁基锂 、 sodium hydride 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 2-(2-Pyrimidin-5-ylphenoxy)ethanol
  参考文献：
  名称：

  N-Arylpiperazinyl-N‘-propylamino Derivatives of Heteroaryl Amides as Functional Uroselective α₁-Adrenoceptor Antagonists

  摘要：

  Novel arylpiperazines were identified as alpha(1)-adrenoceptor(BR) subtype-selective antagonists by functional in vitro screening. 3-[4-(ortho-Substituted phenyl)piperazin-1-yl]propylamines were derivatized with N,N-dimethyl anthranilamides, nicotinamides,;as well as carboxamides of quinoline, I,8-naphthyridine, pyrazolo[3,4-b]pyridine, isoxazolo[3,4-b]pyridine, imidazo[4,5-b]pyridine, and pyrazolo[1,5-a]pyrimidines. Strips of rabbit bladder neck were employed as a predictive assay for antagonism in the human lower tract. Rings of rat aorta;a were used as a ''negative screen'' for the test antagonists. Binding to alpha(1)-ARs was relatively sensitive to size and electronic features of the arylpiperazine portion of the antagonists and permissive to these features on the heteroaryl carboxamide side. These structure-affinity findings were exploited to produce nicotinamides (e.g, 13ii and 25x) and pyrazolo[3,4-b]pyridines (e.g. 37f and 37y) ligands with nanomolar affinity at the alpha(1)-AR subtype prevalent in the human lower urinary tract (pA(2) values: 8.8, 10.7, 9.3, and 9.9, respectively) and displaying 2-3 orders of magnitude selectivity over the alpha(1D)-AR.

  DOI：

  10.1021/jm970166j
• 作为产物：
  描述：

  2-溴乙基乙酸酯 、 2-碘苯酚 在 caesium carbonate 、 sodium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 240.0h， 以5.93 g的产率得到2-(2-碘苯氧基)乙酸乙酯
  参考文献：
  名称：

  N-Arylpiperazinyl-N‘-propylamino Derivatives of Heteroaryl Amides as Functional Uroselective α₁-Adrenoceptor Antagonists

  摘要：

  Novel arylpiperazines were identified as alpha(1)-adrenoceptor(BR) subtype-selective antagonists by functional in vitro screening. 3-[4-(ortho-Substituted phenyl)piperazin-1-yl]propylamines were derivatized with N,N-dimethyl anthranilamides, nicotinamides,;as well as carboxamides of quinoline, I,8-naphthyridine, pyrazolo[3,4-b]pyridine, isoxazolo[3,4-b]pyridine, imidazo[4,5-b]pyridine, and pyrazolo[1,5-a]pyrimidines. Strips of rabbit bladder neck were employed as a predictive assay for antagonism in the human lower tract. Rings of rat aorta;a were used as a ''negative screen'' for the test antagonists. Binding to alpha(1)-ARs was relatively sensitive to size and electronic features of the arylpiperazine portion of the antagonists and permissive to these features on the heteroaryl carboxamide side. These structure-affinity findings were exploited to produce nicotinamides (e.g, 13ii and 25x) and pyrazolo[3,4-b]pyridines (e.g. 37f and 37y) ligands with nanomolar affinity at the alpha(1)-AR subtype prevalent in the human lower urinary tract (pA(2) values: 8.8, 10.7, 9.3, and 9.9, respectively) and displaying 2-3 orders of magnitude selectivity over the alpha(1D)-AR.

  DOI：

  10.1021/jm970166j

文献信息

• Leukotriene-B4 derivatives, process for their production and their use
  申请人：Schering Aktiengesellschaft

  公开号：US05183925A1

  公开（公告）日：1993-02-02

  The invention relates to leukotriene-B.sub.4 derivatives of formula I, ##STR1## in which n=1-10, R.sub.1 means radical CH.sub.2 OH, radical COOR.sub.4, radical CONHR.sub.5 or radical CONR.sub.6 R.sub.7, A means a cis, trans or trans, trans--CH.dbd.CH--CH.dbd.CH group or tetramethylene group, B means an alkylene group with up to 10 C atoms, D means a direct compound, oxygen, sulfur, a --C.tbd.C group or a --CH.dbd.CR.sub.8 group, B and D together mean a direct bond, R.sub.2 means a hydrogen atom or an acid radical of an organic acid with 1-15 C atoms and R.sub.3 means a hydrogen atom, an optionally substituted alkyl radical with 1-10 C atoms, a cycloalkyl radical with 3-10 C atoms, an optionally substituted aryl radical with 6-10 C atoms or a 5-6 member heterocyclic radical and if R.sub.4 means a hydrogen atom, their salts with physiologically compatible bases and their cyclodextrin clathrates, process for their production and their pharmaceutical use.

  本发明涉及公式I的白三烯-B.sub.4衍生物，其中n=1-10，R.sub.1表示基团CH.sub.2OH，基团COOR.sub.4，基团CONHR.sub.5或基团CONR.sub.6R.sub.7，A表示顺式、反式或顺反-CH.dbd.CH-CH.dbd.CH基团或四亚甲基基团，B表示具有多达10个C原子的烷基基团，D表示直接化合物、氧、硫、-C.tbd.C基团或-CH.dbd.CR.sub.8基团，B和D一起表示直接键，R.sub.2表示氢原子或具有1-15个C原子的有机酸酸基团，R.sub.3表示氢原子、1-10个C原子的可选取代烷基基团、3-10个C原子的环烷基基团、6-10个C原子的可选取代芳基基团或5-6成员杂环基团，如果R.sub.4表示氢原子，则它们与生理兼容的碱盐以及它们的环糊精包合物，其制备方法和它们的药物用途。
• US5183925A
  申请人：——

  公开号：US5183925A

  公开（公告）日：1993-02-02