2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)cyclohexanecarboxylic acid | 500533-94-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)cyclohexanecarboxylic acid
• 英文别名: 2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)cyclohexane-1-carboxylic acid
• CAS: 500533-94-8
• 化学式: C₂₀H₁₈O₇
• 分子量: 370.4
• InChiKey: CAVIJGGXNIURPI-UHFFFAOYSA-N

物化性质

• 沸点：
  712.5±60.0 °C(Predicted)
• 密度：
  1.59±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  124
• 氢给体数：
  4
• 氢受体数：
  7

文献信息

• COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING
  申请人：University of Rochester

  公开号：EP2147310A2

  公开（公告）日：2010-01-27
• Methods of Inhibiting Poxvirus Growth
  申请人：Sefton Bartholomew M.

  公开号：US20080306031A1

  公开（公告）日：2008-12-11

  This disclosure ascribes new functions to derivatives of tetralin, anthraquinone, naphthylamine, tri-amino-pyrimidine, xanthen-3-one, and/or cinnamic acid (including, for example, NSC270718R, NSC117285R, NSC170008Y, NSC306711P, NSC119913X, NSC119915Z, NSC119911V, NSC119910U, NSC128437O, NSC125908P, NSC9600Q, or NSC13778J, each obtained from the Structure Diversity Set, National Institutes of Health, National Cancer Institute, Developmental Therapeutics Program). These compounds are shown to be effective inhibitors of viral essential protein kinases (such as poxvirus B1 and/or F10 protein kinases). Exemplary chemical structures for viral protein kinase (VPK) inhibitors are provided, as are methods of using such compounds, for instance, to inhibit VPK activity and/or poxvirus growth, and/or for the treatment of poxvirus infection. Also provided are pharmaceutical compositions including disclosed VPK inhibitors.
• METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS
  申请人：Reed John C.

  公开号：US20090118135A1

  公开（公告）日：2009-05-07

  An assay for determining compounds that inhibit activity of a BCl-2 protein, or affect conversion of Bcl-2 from an antiapoptotic to a proapoptotic form are described. In addition, compounds that modulate the function of anti-apoptotic proteins such as Bcl-2 and related Bcl-2 family members are identified.
• METHOD OF ACTIVATING NK CELLS
  申请人：Wahle Joseph

  公开号：US20100069475A1

  公开（公告）日：2010-03-18

  The present invention provides a method of mediating hypo-activation of NK cells. Methods of the present invention comprise administering to a subject an effective amount of broad acting phosphotase inhibitor, such as sodium orthovanadate, SHP specific inhibitor. In one embodiment, the SHP specific inhibitor is NSC119910.
• Compositions and Methods for Inhibiting G Protein Signaling
  申请人：University of Rochester

  公开号：US20130116313A1

  公开（公告）日：2013-05-09

  The present invention relates to methods for identifying agents which bind to specific amino acid residues of the protein interaction site of G protein β protein subunit. Compounds identified in accordance with the assay of the invention and methods for using the compound for modulating at least one activity of a G protein are also provided.