3-Nitro-6-propyl-1H-pyridin-2-one | 579508-04-6

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 3-Nitro-6-propyl-1H-pyridin-2-one
• 英文别名: 3-Nitro-6-propylpyridin-2(1H)-one；3-nitro-6-propyl-1H-pyridin-2-one
• CAS: 579508-04-6
• 化学式: C₈H₁₀N₂O₃
• 分子量: 182.179
• InChiKey: QBOABZRMNSYHTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Nitro-6-propyl-1H-pyridin-2-one 在 platinum(IV) oxide lithium hydroxide 、 molecular sieve 、 DCE 、 氢气 、 三乙酰氧基硼氢化钠 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 15.0h， 生成 {2-Oxo-6-propyl-3-[(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-ylmethyl)-amino]-2H-pyridin-1-yl}-acetic acid
  参考文献：
  名称：

  Non-Peptide αvβ3 antagonists. Part 6: Design and synthesis of αvβ3 antagonists containing a pyridone or pyrazinone central scaffold

  摘要：

  Two novel series of small-molecule RGD mimetics containing either a substituted pyridone or pyrazinone central constraint were prepared. Modification of the P-alanine 3-substituent produced compounds that are potent and selective alpha(v)beta(3) antagonists and exhibit a range of physicochemical properties. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00254-3

文献信息

• Non-Peptide αvβ3 antagonists. Part 6: Design and synthesis of αvβ3 antagonists containing a pyridone or pyrazinone central scaffold
  作者：Michael J Breslin、Mark E Duggan、Wasyl Halczenko、Carmen Fernandez-Metzler、Cecilia A Hunt、Chih-Tai Leu、Kara M Merkle、Adel M Naylor-Olsen、Thomayant Prueksaritanont、Gary Stump、Audrey Wallace、Sevgi B Rodan、John H Hutchinson

  DOI：10.1016/s0960-894x(03)00254-3

  日期：2003.5

  Two novel series of small-molecule RGD mimetics containing either a substituted pyridone or pyrazinone central constraint were prepared. Modification of the P-alanine 3-substituent produced compounds that are potent and selective alpha(v)beta(3) antagonists and exhibit a range of physicochemical properties. (C) 2003 Elsevier Science Ltd. All rights reserved.