4-氨基-3-[4,5-双(羟甲基)-1,2,3-三唑-1-基]呋咱 | 292836-31-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4-氨基-3-[4,5-双(羟甲基)-1,2,3-三唑-1-基]呋咱
• 英文名称: 4-amino-3-[4,5-bis(hydroxymethyl)-1,2,3-triazol-1-yl]furazan
• 英文别名: [3-(4-Amino-furazan-3-yl)-5-hydroxymethyl-3H-[1,2,3]triazol-4-yl]-methanol；[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(hydroxymethyl)triazol-4-yl]methanol
• CAS: 292836-31-8
• 化学式: C₆H₈N₆O₃
• 分子量: 212.168
• InChiKey: MKMLUDAHTGRCOS-UHFFFAOYSA-N

物化性质

• 沸点：
  596.1±60.0 °C(Predicted)
• 密度：
  2.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  136
• 氢给体数：
  3
• 氢受体数：
  8

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  4-氨基-3-[4,5-双(羟甲基)-1,2,3-三唑-1-基]呋咱 在 双氧水 、 三氟乙酸酐 作用下， 生成 4-氨基-5-硝基呋咱
  参考文献：
  名称：

  通过相应胺的氧化和重氮化合成 (4-R1-5-R2-1,2,3-三唑-1-基)-1,2,5-恶二唑的硝基、亚硝基、偶氮和叠氮衍生物

  摘要：

  硝基-、亚硝基-和偶氮-1,2,5-恶二唑具有 4-R1-5-R2-1,2,3-三唑-1-基取代基是通过氨基-(1,2,3 -triazol-1-yl)-1,2,5-恶二唑（氨基三唑基呋喃）。叠氮-1,2,5-恶二唑是通过氨基（三唑基）呋咱的重氮化然后用叠氮化钠处理重氮盐来制备的。根据取代基和试剂的性质，三唑基呋喃唑可以发生破坏，得到氨基-R-呋喃（R = NO2，N3，氨基呋咱基），氨基由三唑环形成。

  DOI：

  10.1007/s11172-006-0058-9
• 作为产物：
  描述：

  丁炔二醇 、 4-azido-1,2,5-oxadiazol-3-amine 在 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate 作用下， 反应 7.5h， 以75%的产率得到4-氨基-3-[4,5-双(羟甲基)-1,2,3-三唑-1-基]呋咱
  参考文献：
  名称：

  Synthesis of 1-aryl(hetaryl)-1,2,3-triazoles with the use of ionic liquids

  摘要：

  1-Phenyl(furazanyl)-1,2,3-triazoles can be synthesised by the 1,3-dipolar cycloaddition of phenylazide 1 or 4-amino-3-azidofurazan 2 to acetylenes (or to 1-morpholinyl-2-nitroethene for 2) in ionic liquids (1-butyl-3-methylimidazolium tetrafluoroborate ([bmim] [BF4]) for 1 or 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim] [PF6]) for 2].

  DOI：

  10.1070/mc2002v012n03abeh001590

文献信息

• Synthesis of 4-R-3-(4-R1-5-R2-1,2,3-triazol-1-YL)furazans. 1. Azidofurazans in 1,3-dipolar cycloaddition reactions with substituted acetylenes
  作者：L. V. Batog、L. S. Konstantinova、V. Yu. Rozhkov、Yu. A. Strelenko、O. V. Lebedev、L. I. Khmel'nitskii

  DOI：10.1007/bf02256852

  日期：2000.1
• SCREENING METHODS FOR AMYLOID BETA MODULATORS
  申请人：Slon-Usakiewicz Jacek

  公开号：US20110028719A1

  公开（公告）日：2011-02-03

  The present invention relates to methods for screening, identifying, and/or quantifying modulators of amyloid and/or aggregates, fibrils or components thereof, in particular modulators of amyloid β-peptide (Aβ) or Aβ fibrils. Aspects of the invention provide methods for screening putative modulators against an Amyloid target, in particular an Aβ target, so as to determine which modulators bind to or interact with the target, or interfere with the interaction of an indicator agent and the target. Particular aspects of the invention employ mass spectrometric methods for the screening of an Amyloid target against compound libraries, in particular mixtures of compounds or combinatorial libraries.
• Castration-Resistant Prostate Cancer
  申请人：NUtech Ventures

  公开号：US20160310528A1

  公开（公告）日：2016-10-27

  This invention relates to inhibitors of UDP-glucose dehydrogenase, and more particularly to UDP-glucose dehydrogenase inhibitors that are useful in the treatment of prostate cancer. Methods of inhibiting UDP-glucose dehydrogenase and improving the efficacy of additional prostate cancer therapies are also provided.
• Synthesis of 1-aryl(hetaryl)-1,2,3-triazoles with the use of ionic liquids
  作者：Ilya V. Seregin、Lyudmila V. Batog、Nina N. Makhova

  DOI：10.1070/mc2002v012n03abeh001590

  日期：——

  1-Phenyl(furazanyl)-1,2,3-triazoles can be synthesised by the 1,3-dipolar cycloaddition of phenylazide 1 or 4-amino-3-azidofurazan 2 to acetylenes (or to 1-morpholinyl-2-nitroethene for 2) in ionic liquids (1-butyl-3-methylimidazolium tetrafluoroborate ([bmim] [BF4]) for 1 or 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim] [PF6]) for 2].
• Synthesis of nitro, nitroso, azo, and azido derivatives of (4-R1-5-R2-1,2,3-triazol-1-yl)-1,2,5-oxadiazoles by oxidation and diazotization of the corresponding amines
  作者：L. V. Batog、L. S. Konstantinova、V. Yu. Rozhkov

  DOI：10.1007/s11172-006-0058-9

  日期：2005.8

  Nitro-, nitroso-, and azo-1,2,5-oxadiazoles with 4-R1-5-R2-1,2,3-triazol-1-yl substituents were synthesized by oxidation of amino-(1,2,3-triazol-1-yl)-1,2,5-oxadiazoles (aminotriazolylfurazans). Azido-1,2,5-oxadiazole was prepared by diazotization of amino(triazolyl)furazan followed by treatment of the diazonium salt with sodium azide. Depending on the nature of the substituents and the reagent, triazolylfurazans

  硝基-、亚硝基-和偶氮-1,2,5-恶二唑具有 4-R1-5-R2-1,2,3-三唑-1-基取代基是通过氨基-(1,2,3 -triazol-1-yl)-1,2,5-恶二唑（氨基三唑基呋喃）。叠氮-1,2,5-恶二唑是通过氨基（三唑基）呋咱的重氮化然后用叠氮化钠处理重氮盐来制备的。根据取代基和试剂的性质，三唑基呋喃唑可以发生破坏，得到氨基-R-呋喃（R = NO2，N3，氨基呋咱基），氨基由三唑环形成。