3,5,7-tris(hydroxymethyl)tropolone | 120167-39-7

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物 - 环庚三烯酮
• 英文名称: 3,5,7-tris(hydroxymethyl)tropolone
• 英文别名: 3,5,7-tris-hydroxymethyl-tropolone；3,5,7-Tris-hydroxymethyl-tropolon；2-Hydroxy-3,5,7-tris(hydroxymethyl)-1-cyclohepta-2,4,6-trienone；2-hydroxy-3,5,7-tris(hydroxymethyl)cyclohepta-2,4,6-trien-1-one
• CAS: 120167-39-7
• 化学式: C₁₀H₁₂O₅
• 分子量: 212.202
• InChiKey: QMVFVYSXZNMEBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  98
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,5,7-tris(hydroxymethyl)tropolone 在 磷化氢 、 碘 、 溶剂黄146 作用下， 生成 3,5,7-Trimethyltropolon
  参考文献：
  名称：

  Nozoe et al., Sci. Rep. Tohoku Univ., Ser. 1: Phys., Chem., Astron., 1952, vol. 36, p. 40,57

  摘要：

  DOI：
• 作为产物：
  描述：

  聚合甲醛 、 环庚三烯酚酮 在 氢氧化钾 作用下， 生成 3,5,7-tris(hydroxymethyl)tropolone
  参考文献：
  名称：

  Nozoe et al., Sci. Rep. Tohoku Univ., Ser. 1: Phys., Chem., Astron., 1952, vol. 36, p. 40,57

  摘要：

  DOI：

文献信息

• Diemer, Rolf; Keppler, Bernhard, K.; Dittes, Uwe, Chemische Berichte, 1995, vol. 128, # 4, p. 335 - 342
  作者：Diemer, Rolf、Keppler, Bernhard, K.、Dittes, Uwe、Nuber, Bernhard、Seifried, Volker、Opferkuch, Wolfgang

  DOI：——

  日期：——
• Dipolar spirocyclic σ-complexes based on of 4,6-dinitrobenzofuroxan
  作者：S. V. Kurbatov、Z. N. Budarina、G. S. Vaslyaeva、N. I. Borisenko、A. P. Knyazev、V. I. Minkin、Yu. A. Zhdanov、L. P. Olekhnovich

  DOI：10.1007/bf02505683

  日期：1997.8

  The first dipolar spiro-sigma-complexes with a superelectrophilic dinintrobenzofuroxan fragment and tropolone systems with diastereotopic substituents were synthesized. The kinetics of their enantiotopomerization, which occurs via cleavage-formation of the C-spiro-heteroatom bond, was studied by dynamic H-1 NMR. The stereorigidity of dinitrobenzofuroxan spiro-complexes in this degenerated process increases in the series: tropolone < aminotropone << aminothiotropone approximate to aminotroponimine. The two last possess the highest kinetic stability compared to all known zwitterionic spiro-complexes.
• 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.
• US8729035B2
  申请人：——

  公开号：US8729035B2

  公开（公告）日：2014-05-20
• [EN] SCREENING METHODS FOR AMYLOID BETA MODULATORS<br/>[FR] PROCÉDÉS DE CRIBLAGE POUR MODULATEURS DE BÊTA-AMYLOÏDE
  申请人：WARATAH PHARMACEUTICALS INC

  公开号：WO2007134449A1

  公开（公告）日：2007-11-29

  [EN] 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 ß-peptide (Aß) or Aß fibrils. Aspects of the invention provide methods for screening putatative modulators against an Amyloid target, in particular an Aß target, so as to determine which modulators bind to or interact with the target, or interefere 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.
  [FR] La présente invention concerne des procédés de criblage, d'identification et/ou de quantification de modulateurs de substances amyloïdes et/ou de leurs agrégats, de leurs fibrilles ou de leurs composants, en particulier des modulateurs de peptide ß-amyloïde (Aß) ou de fibrilles Aß. L'invention concerne des procédés de criblage de modulateurs putatifs contre une cible amyloïde, en particulier une cible Aß, de manière à déterminer quels sont les modulateurs qui se lient à la cible ou qui interagissent avec elle, ou ceux qui gênent l'interaction entre un agent indicateur et la cible. Des aspects particuliers de l'invention utilisent des procédés de spectrométrie de masse pour le criblage à la recherche d'une cible amyloïde dans des librairies de composés, en particulier des mélanges de composés ou des librairies combinatoires.