N-(morpholin-4-yl)-3-oxobutanamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: N-(morpholin-4-yl)-3-oxobutanamide
• 英文别名: N-morpholin-4-yl-3-oxobutanamide
• 化学式: C₈H₁₄N₂O₃
• 分子量: 186.211
• InChiKey: IWAFCQZOHDVCKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-氨基吗啉 、 N-(morpholin-4-yl)-3-oxobutanamide 以72%的产率得到3-Methyl-N-morpholino-3-(morpholinoamino)acrylamid
  参考文献：
  名称：

  Grohe, Klaus; Heitzer, Helmut, Liebigs Annalen der Chemie, 1982, # 5, p. 884 - 893

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氨基吗啉 、 双乙烯酮 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 N-(morpholin-4-yl)-3-oxobutanamide
  参考文献：
  名称：

  Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias

  摘要：

  本发明涉及铁（III）配合物化合物和包含它们的药物组合物，用于作为药物，特别是用于治疗和/或预防缺铁症状和缺铁性贫血。

  公开号：

  US09394324B2

文献信息

• Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias
  申请人：Bark Thomas

  公开号：US20130109662A1

  公开（公告）日：2013-05-02

  The invention relates to iron(III) complex compounds and pharmaceutical compositions comprising them for the use as medicaments, in particular for the treatment and/or prophylaxis of iron deficiency symptoms and iron deficiency anemias.

  这项发明涉及铁（III）配合物和包括它们的药物组合物，用作药物，特别是用于治疗和/或预防缺铁症状和缺铁性贫血。
• Targeting Dormant Tuberculosis Bacilli: Results for Molecules with a Novel Pyrimidone Scaffold
  作者：Rohit R. Joshi、Avinash Barchha、Vijay M. Khedkar、Raghuvir R. S. Pissurlenkar、Sampa Sarkar、Dhiman Sarkar、Rohini R. Joshi、Ramesh A. Joshi、Anamik K. Shah、Evans C. Coutinho

  DOI：10.1111/cbdd.12373

  日期：2015.2

  Our inability to completely control TB has been due in part to the presence of dormant mycobacteria. This also renders drug regimens ineffective and is the prime cause of the appearance of drug‐resistant strains. In continuation of our efforts to develop novel antitubercular agents that especially target dormant mycobacteria, a set of 55 new compounds belonging to the pyrimidone class were designed on the basis of CoMFA and CoMSIA studies, and these were synthesized and subsequently tested against both the dormant and virulent BCG strain of M. tuberculosis. Some novel compounds have been identified which selectively inhibit the dormant tuberculosis bacilli with significantly low IC50 values. This study reports the second molecule after TMC‐207, having the ability to inhibit tuberculosis bacilli exclusively in its dormant phase. The synthesis was accomplished by a modified multicomponent Biginelli reaction. A classification model was generated using the binary QSAR approach – recursive partitioning (RP) to identify structural characteristics related to the activity. Physicochemical, structural, topological, connectivity indices, and E‐state key descriptors were used for generation of the decision tree. The decision tree could provide insights into structure–activity relationships that will guide the design of more potent inhibitors.
• Thermosetting resin composition and producing process thereof
  申请人：NIPPON SHOKUBAI CO., LTD.

  公开号：EP0924247B1

  公开（公告）日：2003-03-19
• FE(III)-KOMPLEXVERBINDUNGEN ZUR BEHANDLUNG UND PROPHYLAXE VON EISENMANGELERSCHEINUNGEN UND EISENMANGELANÄMIEN
  申请人：Vifor (International) AG

  公开号：EP2549991A1

  公开（公告）日：2013-01-30
• US4123611A
  申请人：——

  公开号：US4123611A

  公开（公告）日：1978-10-31