3-ethyl-5-phenyl-1,2,4-oxadiazole | 22354-96-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-ethyl-5-phenyl-1,2,4-oxadiazole
• 英文别名: 3-Ethyl-5-phenyl-1,2,4-oxadiazol；3-Aethyl-5-phenyl-[1,2,4]oxadiazol
• CAS: 22354-96-7
• 化学式: C₁₀H₁₀N₂O
• 分子量: 174.202
• InChiKey: JUESKIQSLQZEHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3a-ethyl-6,6-dimethyl-2-phenyl-5H-[1,3]oxazolo[3,2-b][1,2,4]oxadiazole 以 甲苯 为溶剂， 反应 0.5h， 生成 3-ethyl-5-phenyl-1,2,4-oxadiazole
  参考文献：
  名称：

  Condensed Oxaziridine-Mediated [3+2] Cycloaddition: Synthesis of Polyhetero-bicyclo Compounds

  摘要：

  通过稳定的缩合噁嗪环与烯烃、炔烃和腈之间的区域选择性 [3+2]- 环加成反应，合成了多杂环双环化合物。这些分子对几种革兰氏阳性细菌具有相当强的抗菌活性。

  DOI：

  10.1055/s-0030-1258819

文献信息

• Oxadiazole-substituted naphtho[2,3- b ]thiophene-4,9-diones as potent inhibitors of keratinocyte hyperproliferation. Structure−activity relationships of the tricyclic quinone skeleton and the oxadiazole substituent
  作者：Atila Basoglu、Simone Dirkmann、Nader Zahedi Golpayegani、Silke Vortherms、Jan Tentrop、Dominica Nowottnik、Helge Prinz、Roland Fröhlich、Klaus Müller

  DOI：10.1016/j.ejmech.2017.03.084

  日期：2017.7

  3-b]thiophene-4,9-diones were synthesized in which the tricyclic quinone skeleton was systematically replaced with simpler moieties, such as structures with fewer rings and open-chain forms, while the oxadiazole ring was maintained. In addition, variants of the original 1,2,4-oxadiazole ring were explored. Overall, the complete three-ring quinone was essential for potent suppression of human keratinocyte

  合成了恶二唑取代的萘并[2,3-b]噻吩-4,9-二酮的新型类似物，其中三环醌骨架被较简单的部分系统取代，例如结构较少的环和开链形式，而恶二唑环得以维持。另外，探索了原始的1,2,4-恶二唑环的变体。总的来说，完整的三环醌对于有效抑制人角质形成细胞的过度增殖至关重要，而类似的蒽醌则没有活性。而且，恶二唑环本身不足以引起活性。但是，恶二唑环中杂原子位置的重排导致了高效抑制剂，化合物24b是该系列中最有效的类似物，在纳摩尔范围内显示出IC50。此外，
• [EN] QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS<br/>[FR] DÉRIVÉS DE QUINAZOLINONE COMME INHIBITEURS DE POLYMÉRASE VIRALE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2011032277A1

  公开（公告）日：2011-03-24

  Compounds of formula I: (I) wherein X, R2, R3, R5 and R6 are defined herein, are useful as inhibitors of the hepatitis C virus NS5B polymerase.

  式I中的化合物：(I)其中X，R2，R3，R5和R6的定义如下，在抑制乙型肝炎病毒NS5B聚合酶方面是有用的。
• BRIDGED CARBAMATE MACROLIDES
  申请人：Kim Heejin

  公开号：US20080027012A1

  公开（公告）日：2008-01-31

  The present invention discloses compounds of formulae (I) and (II) or pharmaceutically acceptable salts, esters, or prodrugs thereof: which exhibit antibacterial properties. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject in need of antibiotic treatment. The invention also relates to methods of treating a bacterial infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention. The invention further includes process by which to make the compounds of the present invention.

  本发明公开了式(I)和(II)的化合物或其药学上可接受的盐、酯或前药：这些化合物具有抗菌性能。本发明还涉及含有上述化合物的药物组合物，用于治疗需要抗生素治疗的受试者。该发明还涉及通过给予含有本发明化合物的药物组合物来治疗受试者的细菌感染的方法。该发明还包括制备本发明化合物的方法。
• C-9 ALKENYLIDINE BRIDGED MACROLIDES
  申请人：Phan Ly Tam

  公开号：US20080119418A1

  公开（公告）日：2008-05-22

  The present invention discloses compounds of formulae (I), (II) or pharmaceutically acceptable salts, esters, or prodrugs thereof: which exhibit antibacterial properties. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject in need of antibiotic treatment. The invention also relates to methods of treating a bacterial infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention. The invention further includes process by which to make the compounds of the present invention.

  本发明揭示了以下化合物的公式（I），（II）或其药学上可接受的盐，酯或前药：具有抗菌性质。本发明还涉及包括上述化合物的制药组合物，用于治疗需要抗生素治疗的受体。本发明还涉及通过给予包含本发明化合物的制药组合物来治疗受体的细菌感染的方法。本发明还包括制备本发明化合物的方法。
• 3,6-Bridged 9,12-oxolides
  申请人：Or Sun Yat

  公开号：US20070232554A1

  公开（公告）日：2007-10-04

  The present invention discloses compounds of formula (I) or pharmaceutically acceptable salts, esters, or prodrugs thereof: which exhibit antibacterial properties. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject in need of antibiotic treatment. The invention also relates to methods of treating a bacterial infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention. The invention further includes process by which to make the compounds of the present invention.

  本发明揭示了公式（I）的化合物或其药学上可接受的盐、酯或前药：具有抗菌性能。本发明还涉及包含上述化合物的制药组合物，用于治疗需要抗生素治疗的受体。本发明还涉及通过给予包含本发明化合物的制药组合物来治疗受体的细菌感染的方法。本发明还包括制备本发明化合物的方法。