2-({1-[(4-Aminophenyl)methyl]-4-methyl-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl}(propyl)carbamoyl)acetic acid | 960074-10-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-({1-[(4-Aminophenyl)methyl]-4-methyl-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl}(propyl)carbamoyl)acetic acid
• 英文别名: 3-[[1-[(4-aminophenyl)methyl]-4-methyl-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-propylamino]-3-oxopropanoic acid
• CAS: 960074-10-6
• 化学式: C₂₅H₂₉N₃O₄
• 分子量: 435.523
• InChiKey: GMSXKCPQIGTWJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N,N'-bis( tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine 、 2-({1-[(4-Aminophenyl)methyl]-4-methyl-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl}(propyl)carbamoyl)acetic acid 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and biological evaluation of non-peptide αvβ3/α5β1 integrin dual antagonists containing 5,6-dihydropyridin-2-one scaffolds

  摘要：

  Small constrained non-peptidic molecules consisting of a polyfunctionalized rigid core, carrying appendages corresponding to arginine and aspartic acid side chains, have been recently reported to be promising for drug development. In this work, the 5,6-dihydropyridin-2-one was envisaged as a scaffold to turn into potential integrin ligands, introducing a carboxylic acid and a basic appendage. The synthesis and the antiadhesion activity of a small library of peptidomimetics capable to recognize alpha(v)beta(3) and alpha(5)beta(1) integrins has been herein reported. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.07.049
• 作为产物：
  描述：

  在 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 生成 2-({1-[(4-Aminophenyl)methyl]-4-methyl-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl}(propyl)carbamoyl)acetic acid
  参考文献：
  名称：

  Synthesis and biological evaluation of non-peptide αvβ3/α5β1 integrin dual antagonists containing 5,6-dihydropyridin-2-one scaffolds

  摘要：

  Small constrained non-peptidic molecules consisting of a polyfunctionalized rigid core, carrying appendages corresponding to arginine and aspartic acid side chains, have been recently reported to be promising for drug development. In this work, the 5,6-dihydropyridin-2-one was envisaged as a scaffold to turn into potential integrin ligands, introducing a carboxylic acid and a basic appendage. The synthesis and the antiadhesion activity of a small library of peptidomimetics capable to recognize alpha(v)beta(3) and alpha(5)beta(1) integrins has been herein reported. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.07.049

文献信息

• Synthesis and biological evaluation of non-peptide αvβ3/α5β1 integrin dual antagonists containing 5,6-dihydropyridin-2-one scaffolds
  作者：Fides Benfatti、Giuliana Cardillo、Serena Fabbroni、Patrizia Galzerano、Luca Gentilucci、Riccardo Juris、Alessandra Tolomelli、Monica Baiula、Antonino Spartà、Santi Spampinato

  DOI：10.1016/j.bmc.2007.07.049

  日期：2007.12

  Small constrained non-peptidic molecules consisting of a polyfunctionalized rigid core, carrying appendages corresponding to arginine and aspartic acid side chains, have been recently reported to be promising for drug development. In this work, the 5,6-dihydropyridin-2-one was envisaged as a scaffold to turn into potential integrin ligands, introducing a carboxylic acid and a basic appendage. The synthesis and the antiadhesion activity of a small library of peptidomimetics capable to recognize alpha(v)beta(3) and alpha(5)beta(1) integrins has been herein reported. (C) 2007 Elsevier Ltd. All rights reserved.