1-(4-Amino-butyl)-5-methyl-1H-pyrimidine-2,4-dione | 80585-59-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-(4-Amino-butyl)-5-methyl-1H-pyrimidine-2,4-dione
• 英文别名: 1-(4-Aminobutyl)thymine；1-(4-aminobutyl)-5-methylpyrimidine-2,4-dione
• CAS: 80585-59-7
• 化学式: C₉H₁₅N₃O₂
• 分子量: 197.237
• InChiKey: BSZMIXNUTSVWGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  75.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-Amino-butyl)-5-methyl-1H-pyrimidine-2,4-dione 在 sodium hydroxide 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 40.0h， 生成 7-Chloro-6-fluoro-1-[4-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-butyl]-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
  参考文献：
  名称：

  On the binding site of quinolone antibacterials. An attempt to probe the shen model

  摘要：

  Quinolone-nucleic acid base hybrids were synthesized in an effort to probe a mechanistic model and a proposed mode of antibacterial action where stacked pairs of quinolones interact with DNA through H-bonding. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00430-1
• 作为产物：
  描述：

  1-(4-chlorobutyl)-5-methyl-2,4(1H,3H)-pyrimidinedione 在 Ra-Ni sodium azide 、 四丁基溴化铵 、 氢气 作用下， 以 乙腈 为溶剂， 生成 1-(4-Amino-butyl)-5-methyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  On the binding site of quinolone antibacterials. An attempt to probe the shen model

  摘要：

  Quinolone-nucleic acid base hybrids were synthesized in an effort to probe a mechanistic model and a proposed mode of antibacterial action where stacked pairs of quinolones interact with DNA through H-bonding. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00430-1

文献信息

• Photochemical ring opening of thymidine and thymine in the presence of primary amines
  作者：Isao Saito、Hiroshi Sugiyama、Nobuyuki Furukawa、Teruo Matsuura

  DOI：10.1016/s0040-4039(01)81880-3

  日期：1981.1

  Irradiation of thymidine or thymine in the presence of tert- butylamine at 0 °C provided ping-opened photoadduct 3 which on heating at 70 °C gave 1-tert-butylthymine (2) quantitatively. Synthetic application of this photoexchange reaction with amines has been described.

  在叔丁胺的存在下于0°C照射胸腺嘧啶或胸腺嘧啶可提供开孔的光加合物3，在70°C加热后可定量得到1-叔丁基胸腺嘧啶（2）。已经描述了这种光交换反应与胺的合成应用。
• LIPID COMPOUND OR A DERIVATIVE THEREOF AND PHARMACEUTICAL COMPOSITION EMPLOYING THE SAME
  申请人：Industrial Technology Research Institute

  公开号：EP4368626A1

  公开（公告）日：2024-05-15

  A lipid compound or a derivative thereof and a pharmaceutical composition employing the same are provided. The lipid compound has a structure represented by Formula (I): wherein Z1, Z2, Z3 and Z4 are as disclosed in the specification.

  本发明提供了一种脂质化合物及其衍生物，以及一种采用该化合物的药物组合物。所述脂质化合物具有由式(I)表示的结构：其中，Z1、Z2、Z3和Z4如说明书中所披露。
• On the binding site of quinolone antibacterials. An attempt to probe the shen model
  作者：Stephen Hanessian、Raffaele Saladino、Jose Cid Nunez

  DOI：10.1016/0960-894x(96)00430-1

  日期：1996.10

  Quinolone-nucleic acid base hybrids were synthesized in an effort to probe a mechanistic model and a proposed mode of antibacterial action where stacked pairs of quinolones interact with DNA through H-bonding. Copyright (C) 1996 Elsevier Science Ltd