2-amino-3-ethyl-5,6-dimethyl-4(3H)-pyrimidinone

• 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: 2-amino-3-ethyl-5,6-dimethyl-4(3H)-pyrimidinone
• 英文别名: 2-amino-3-ethyl-5,6-dimethylpyrimidin-4(3H)-one；2-amino-3-ethyl-5,6-dimethylpyrimidin-4-one
• 化学式: C₈H₁₃N₃O
• 分子量: 167.211
• InChiKey: DBUVXRCHRYWOII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  58.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-甲基乙酰乙酸乙酯 在 氢氧化钾 、 sodium ethanolate 、 四丁基硫酸氢铵 、 potassium carbonate 作用下， 以 乙醇 、 苯 为溶剂， 反应 4.0h， 生成 2-amino-3-ethyl-5,6-dimethyl-4(3H)-pyrimidinone
  参考文献：
  名称：

  3-Ethyl-6-methyl-isocytosines: Synthesis and Solid State Structural Analysis

  摘要：

  The syntheses and solid state structures of 3-ethyl-6-methyl-5-alkyl-isocytosines (alkyl=H, Me, Et, n-Pr, n-Bu) are presented. These heterocycles consistently self-assemble into N-H ... N hydrogen-bonded dimers, which further associate by N-H ... O=C interactions, or N-H ... O-H ... O=C hydrogen bonds involving water of crystallization, generating extended supramolecular networks. Crystal packing analysis indicates that although hydrogen bonding is the primary intermolecular interaction in these molecular crystals, the dispersion forces may play a decisive role in determining their final three-dimensional arrangements. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00288-x

文献信息

• [EN] NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES<br/>[FR] NOUVEAUX MULTIMÈRES LIES A UN POLYMÈRE MODIFIÉ ÉQUATORIELLEMENT DES MONOPHOSPHATES DE GUANOSINE-3', 5'-CYCLIQUE
  申请人：BIOLOG LIFE SCIENCE INST FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH

  公开号：WO2018010965A1

  公开（公告）日：2018-01-18

  Embodiments of the invention are directed to new equatorially modified polymer linked multimers of guanosine-3', 5'-cyclic monophosphate (cGMP) analogues that inhibit the cGMP-signaling system. The invention is also directed to related monomeric compounds, which may serve as monomeric precursors of the multimers, and/or also show itself inhibitory activity and/or impact the inhibitory activity of the related multimers. The invention further relates to the use of such compounds as reagents for signal transduction research and as modulators of cyclic nucleotide-regulated binding proteins and isoenzymes thereof, and as ligands for affinity chromatography, for antibody production or for diagnostic applications, e.g., on chip surfaces.

  本发明的实施例涉及新的赤道修饰聚合物连接的鸟苷-3'，5'-环磷酸鸟苷（cGMP）类似物的多聚体，其抑制cGMP信号传导系统。本发明还涉及相关的单体化合物，可以作为多聚体的单体前体，并且也显示出抑制活性和/或影响相关多聚体的抑制活性。本发明进一步涉及将这些化合物用作信号转导研究的试剂和循环核苷酸调节结合蛋白及其同功酶的调节剂，以及用作亲和层析的配体，用于抗体生产或用于诊断应用，例如在芯片表面。

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