2-(3-甲基-1,2,4-恶二唑-5-基)乙-1-胺 | 147216-21-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-(3-甲基-1,2,4-恶二唑-5-基)乙-1-胺
• 英文名称: (3-methyl-1,2,4-oxadiazol-5-yl)ethyl amine
• 英文别名: 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethan-1-amine；2-(3-methyl-[1,2,4]oxadiazol-5-yl)-ethylamine；2-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-ethylamine；2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
• CAS: 147216-21-5
• 化学式: C₅H₉N₃O
• mdl: MFCD09971810
• 分子量: 127.146
• InChiKey: VRWWVRDLCMPKME-UHFFFAOYSA-N

物化性质

• 沸点：
  243.5±42.0 °C(Predicted)
• 密度：
  1.140±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  64.9
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  ethyl (2S)-2-(3-bromo-2-oxopyrazin-1-yl)butanoate 、 2-(3-甲基-1,2,4-恶二唑-5-基)乙-1-胺 在 lithium hydroxide 作用下， 以 乙酸乙酯 、 四氢呋喃 为溶剂， 生成 2-{3-[2-(3-Methyl-[1,2,4]oxadiazol-5-yl)-ethylamino]-2-oxo-2H-pyrazin-1-yl}-butyric acid
  参考文献：
  名称：

  Novel pyrazinone mono-amides as potent and reversible caspase-3 inhibitors

  摘要：

  The iterative process for the discovery of a series of pyrazinone mono-amides as potent, selective and reversible non-peptide caspase-3 inhibitors (e.g., M826 and M867) is reported. These compounds display potent anti apoptotic activities in a number of cell based systems in vitro as well as in several animal models in vivo. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.006
• 作为产物：
  描述：

  N,N-dimethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine 在 氨 作用下， 以 甲醇 、 二氯甲烷 、 丙酮 为溶剂， 反应 18.0h， 生成 2-(3-甲基-1,2,4-恶二唑-5-基)乙-1-胺
  参考文献：
  名称：

  Synthesis and Use of 5-Vinyl-1,2,4-oxadiazoles as Michael Acceptors. A Rapid Synthesis of the Potent Muscarinic Agonist L-670,548

  摘要：

  DOI：

  10.1021/jo9603340

文献信息

• Design, synthesis and antimicrobial activity of usnic acid derivatives
  作者：Kartsev Victor、Lichitsky Boris、Geronikaki Athina、Petrou Anthi、Smiljkovic Marija、Kostic Marina、Radanovic Oliver、Soković Marina

  DOI：10.1039/c8md00076j

  日期：——

  fungal species was Trichoderma viride, while Penicillium versicolor var. cyclopium appeared to be the most resistant. It should be mentioned that in general most of the compounds showed weaker antibacterial activity, but better antifungal properties than usnic acid itself. The results allow us to conclude that the title compounds are good lead compounds for novel more active antibacterial drugs. On the

  松萝酸是一种二苯并呋喃，最初是从产生次生代谢产物的地衣中分离出来的，作为一种抗生素而闻名，但还具有其他一些有趣的特性。因此，本文的目的是设计新的松萝酸衍生物并评估其抗菌活性。所有新合成的化合物均具有良好的抗菌活性，MIC范围为1.02–50.93 × 10 -2 mmol mL -1，MBC范围为2.05–70.57 × 10 -2 mmol mL -1。最敏感的细菌种类是金黄色葡萄球菌，而铜绿假单胞菌和大肠杆菌是 ATCC 菌株中耐药性最强的，MRSA 是所有测试细菌（ATCC 和临床分离株）中耐药性最强的。它们的抗真菌活性非常强（MIC = 0.35–7.53 × 10 -2 mmol mL -1和 MFC = 0.70–15.05 × 10 -2 mmol mL -1）——优于参考化合物和松萝酸本身。最敏感的真菌物种是绿色木霉，而杂色青霉变种。cyclopium似乎是最具抵抗力的。应
• Novel pyrazinone mono-amides as potent and reversible caspase-3 inhibitors
  作者：Yongxin Han、André Giroux、John Colucci、Christopher I. Bayly、Daniel J. Mckay、Sophie Roy、Steve Xanthoudakis、John Vaillancourt、Dita M. Rasper、John Tam、Paul Tawa、Donald W. Nicholson、Robert J. Zamboni

  DOI：10.1016/j.bmcl.2004.12.006

  日期：2005.2

  The iterative process for the discovery of a series of pyrazinone mono-amides as potent, selective and reversible non-peptide caspase-3 inhibitors (e.g., M826 and M867) is reported. These compounds display potent anti apoptotic activities in a number of cell based systems in vitro as well as in several animal models in vivo. (C) 2004 Elsevier Ltd. All rights reserved.
• Synthesis and Use of 5-Vinyl-1,2,4-oxadiazoles as Michael Acceptors. A Rapid Synthesis of the Potent Muscarinic Agonist L-670,548
  作者：John E. Macor、Timothy Ordway、Robert L. Smith、Patrick R. Verhoest、Robert A. Mack

  DOI：10.1021/jo9603340

  日期：1996.1.1