essramycin | 1032394-06-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: essramycin
• 英文别名: 5-methyl-2-phenacyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
• CAS: 1032394-06-1
• 化学式: C₁₄H₁₂N₄O₂
• 分子量: 268.275
• InChiKey: OFYCCAJFLXMBKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  74.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  乙酰乙酸乙酯 、 2-(5-amino-1H-1,2,4-triazol-3-yl)-1-phenylethyl-1-one 在 溶剂黄146 作用下， 反应 4.0h， 生成 essramycin
  参考文献：
  名称：

  生物碱essramycin及其衍生物在抗植物病毒 中的应用

  摘要：

  本发明为生物碱essramycin及其衍生物在抗植物病毒中的应用，所述的生物碱essramycin的化学结构式如下所示，具体的说是生物碱essramycin及其衍生物用作抗植物病毒剂，所述用作抗植物病毒剂是用于烟草花叶病毒、辣椒病毒、水稻病毒、番茄病毒、甘薯病毒、马铃薯病毒、瓜类病毒及玉米矮花叶病毒。

  公开号：

  CN110679602B

文献信息

• The Natural Product Essramycin and Three of Its Isomers Are Devoid of Antibacterial Activity
  作者：Huan Wang、Dusan Hesek、Mijoon Lee、Elena Lastochkin、Allen G. Oliver、Mayland Chang、Shahriar Mobashery

  DOI：10.1021/acs.jnatprod.6b00057

  日期：2016.4.22

  essramycin, a natural product from a marine Streptomyces species isolated from the Egyptian Mediterranean coast, were synthesized. The structures for the isomers were assigned unequivocally by 1H NMR, 13C NMR, high-resolution mass spectrometry, and X-ray crystal structure determinations. Notwithstanding the earlier report of broad-spectrum antibacterial activity for the natural product, none of the four

  合成了埃斯霉素的四种可能的异构体，该埃斯霉素是从埃及地中海沿岸分离的海洋链霉菌属物种的天然产物。通过1 H NMR，13 C NMR，高分辨率质谱和X射线晶体结构确定明确地分配了异构体的结构。尽管较早报道了天然产物的广谱抗菌活性，但四种异构体均未显示出任何此类活性。
• A Short Synthesis of the Triazolopyrimidine Antibiotic Essramycin
  作者：Ugo Battaglia、Christopher J. Moody

  DOI：10.1021/np100298m

  日期：2010.11.29

  A short synthesis of the 1,2,4-triazolo[1,5-a]pyrimidine antibiotic essramycin is described involving condensation of aminoguanidine with ethyl benzoylacetate to give an amino-1,2,4-triazole, followed by condensation with ethyl acetoacetate to form the pyrimidone ring.

  描述了1,2,4-三唑并[1,5- a ]嘧啶类抗生素埃斯霉素的简短合成，包括将氨基胍与苯甲酰乙酸乙酯缩合，得到氨基1,2,4-三唑，然后与乙酰乙酸乙酯缩合形成嘧啶酮环。
• Synthesis of Essramycin and Comparison of Its Antibacterial Activity
  作者：Ernest H. L. Tee、Tomislav Karoli、Soumya Ramu、Johnny X. Huang、Mark S. Butler、Matthew A. Cooper

  DOI：10.1021/np100648q

  日期：2010.11.29

  The triazolopyrimidine natural product essramycin (1) was synthesized without the use of protecting groups via a two-step reaction scheme involving a 3-amino-1,2,4-triazole intermediate, and its structure was unequivocally determined. However, in contrast to the natural product, the synthetic essramycin (1) did not display any antibacterial activity.
• NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR INHIBITION OF ROS
  申请人：GRUENEBERG Dorre A.

  公开号：US20160031890A1

  公开（公告）日：2016-02-04

  The present invention relates to a method using some novel compounds and compositions for the inhibition of ROS tyrosine kinase. In particular, the present invention covers a method to treat abnormal cell growth, such as cancer, with ROS 10 inhibitors and compositions having ROS inhibitors. An illustrative compound of the invention is shown below Formula (I).
• US9963452B2
  申请人：——

  公开号：US9963452B2

  公开（公告）日：2018-05-08