4-morpholino-5-acetyl-1-phenyl-6-methyl-1H-pyrimidin-2-one | 139057-06-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-morpholino-5-acetyl-1-phenyl-6-methyl-1H-pyrimidin-2-one
• 英文别名: 5-acetyl-6-methyl-4-(4-morpholinyl)-1-phenyl-2(1H)-pyrimidinone；5-acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one
• CAS: 139057-06-0
• 化学式: C₁₇H₁₉N₃O₃
• 分子量: 313.356
• InChiKey: HDYZKPNNWQFFEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  62.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  diacetylketene N,S-acetal 以 甲苯 为溶剂， 反应 8.5h， 生成 4-morpholino-5-acetyl-1-phenyl-6-methyl-1H-pyrimidin-2-one
  参考文献：
  名称：

  Synthesis of derivatives of 4-alkylthiouracil, cytosine, pyrido[2,3-d]pyrimidine, and pyrimido[4,5-d]pyrimidine from the N,S- and N,N-acetals of diacetylketene and isocyanates

  摘要：

  The action of alkyl and aryl isocyanates on the N,S-acetals of diacetylketene leads to the formation of 4-alkylthio-5-acetyl-1-alkyl(aryl)-6-methyl-1H-pyrimidin-2-ones (derivatives of 4-alkylthiouracils). The reaction of the synthesized thiouracils with amines or the reaction of the N,N-acetals of diacetylketene (N,N-ADK) with an equimolar amount of aryl isocyanates leads to the formation of substituted 4-amino-5-acetyl-1H-pyrimidin-2-ones derivatives of cytosine). From the latter and isocyanates or directly from N,N-ADK and an excess of the isocyanate, derivatives of 4-methylene-1H,3H,4H-pyrimido[4,5-d]pyrimidine-2,7-dione were obtained. The exception was the condensation of 3-[N-(4,6-dimethyl-2-pyrimidinyl)diaminomethylene]pentane-2,4-dione with aryl isocyanates, which led to 3H,8H-pyrido[2,3-d]pyrimidine-2,5-diones.

  DOI：

  10.1007/bf00961050

文献信息

• Compounds for immunopotentiation
  申请人：Valiante Nicholas

  公开号：US20100226931A1

  公开（公告）日：2010-09-09

  Methods of stimulating an immune response and treating patients responsive thereto with 3,4-di(1H-indol-3-yl)-1H-pyrrole-2,5-diones, staurosporine analogs, derivatized pyridazines, chromen-4-ones, indolinones, quinazolines, nucleoside analogs, and other small molecules are disclosed. In a preferred embodiment benzopyrimidine derivatives such as ZD-6474, MLN-518, lapatinib, gefitinib or erlotinib are used.

  本发明公开了刺激免疫反应和治疗对3,4-二（1H-吲哚-3-基）-1H-吡咯-2,5-二酮，链霉菌素类似物，衍生的吡啶并嗪，香豆素-4-酮，吲哚酮，喹唑啉，核苷类似物和其他小分子具有响应性的患者。在一种优选实施方式中，使用苯并嘧啶衍生物，例如ZD-6474，MLN-518，拉帕替尼，吉非替尼或厄洛替尼。