4-[(1,1-dimethylethoxy)carbonyl]-3,4-dihydro-2H-pyrido[3,2-b]-1,4-oxazine-6-acetic acid ethyl ester | 381226-85-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[(1,1-dimethylethoxy)carbonyl]-3,4-dihydro-2H-pyrido[3,2-b]-1,4-oxazine-6-acetic acid ethyl ester
• 英文别名: Tert-butyl 6-(2-ethoxy-2-oxoethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
• CAS: 381226-85-3
• 化学式: C₁₆H₂₂N₂O₅
• 分子量: 322.361
• InChiKey: UBNYJNGHJRIPOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  78
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[(1,1-dimethylethoxy)carbonyl]-3,4-dihydro-2H-pyrido[3,2-b]-1,4-oxazine-6-acetic acid ethyl ester 在 锂硼氢 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 6-(2-hydroxy-ethyl)-2,3-dihydro-pyrido[3,2-b][1,4]oxazine-4-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Non-peptidic αvβ3 antagonists containing indol-1-yl propionic acids

  摘要：

  We describe the synthesis and structure/activity relationship of RGD mimetics that are potent inhibitors of the integrin alpha(v)beta(3)- Indol-1-yl propionic acids containing a variety of basic moieties at the 5-position, as well as substitutions alpha and beta to the carboxy terminus were synthesized and evaluated. Novel compounds with improved potency have been identified. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.028
• 作为产物：
  描述：

  3-羟基-6-甲基-2-硝基吡啶 在 palladium on activated charcoal lithium aluminium tetrahydride 、 氢气 、 碳酸氢钠 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙酸乙酯 、 丁酮 为溶剂， 反应 3.0h， 生成 4-[(1,1-dimethylethoxy)carbonyl]-3,4-dihydro-2H-pyrido[3,2-b]-1,4-oxazine-6-acetic acid ethyl ester
  参考文献：
  名称：

  Non-peptidic αvβ3 antagonists containing indol-1-yl propionic acids

  摘要：

  We describe the synthesis and structure/activity relationship of RGD mimetics that are potent inhibitors of the integrin alpha(v)beta(3)- Indol-1-yl propionic acids containing a variety of basic moieties at the 5-position, as well as substitutions alpha and beta to the carboxy terminus were synthesized and evaluated. Novel compounds with improved potency have been identified. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.028

文献信息

• Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives
  申请人：——

  公开号：US20040092538A1

  公开（公告）日：2004-05-13

  The present invention relates to a class of compounds represented by the Formula I 1 or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising compounds of the Formula I, and methods of selectively inhibiting or antagonizing the &agr; v &bgr; 3 and/or &agr; v &bgr; 5 integrin.

  本发明涉及一类由公式I代表的化合物 1 或其药用可接受的盐，包含公式I化合物的药物组合物，以及选择性地抑制或拮抗α v β 3 和/或α v β 5 整合素的方法。
• [EN] HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS<br/>[FR] ACIDES HETEROARYLALCANOIQUES EN TANT QU'ANTAGONISTES DU RECEPTEUR D'INTEGRINE
  申请人：PHARMACIA CORP

  公开号：WO2004058254A1

  公开（公告）日：2004-07-15

  The present invention relates to pharmaceutical compositions comprising compounds of the Formula I, or a pharmaceutically acceptable salt thereof, and methods of selectively inhibiting or antagonizing the ανβ3 and/or the ανβ5 integrin without significantly inhibiting the ανβ6 integrin.