(2S,3S,13R,14S)-3-(4-methylbenzoyl)-17,19-dioxa-4-azapentacyclo[14.2.1.02,14.04,13.05,10]nonadeca-5,7,9,11-tetraen-15-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3S,13R,14S)-3-(4-methylbenzoyl)-17,19-dioxa-4-azapentacyclo[14.2.1.02,14.04,13.05,10]nonadeca-5,7,9,11-tetraen-15-one
• 化学式: C₂₄H₂₁NO₄
• 分子量: 387.4
• InChiKey: WATWLKMHBUEMTE-ADXRZUIDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Croos-B Structure Binding Compounds
  申请人：Gebbink Martijn Frans Ben Gerard

  公开号：US20080267948A1

  公开（公告）日：2008-10-30

  The invention relates to the field of biochemistry, biophysical chemistry, molecular biology, structural biology and medicine. More in particular, the invention relates to cross-β structure conformation. Even more particular, the invention relates to compounds capable of binding to a compound with cross-β structure conformation, i.e. cross-β structure binding compounds and uses thereof.

  本发明涉及生物化学、生物物理化学、分子生物学、结构生物学和医学领域。更具体地说，本发明涉及交叉β结构构象。更具体地说，本发明涉及能够结合具有交叉β结构构象的化合物的化合物，即交叉β结构结合化合物及其用途。
• Methods of Binding of Cross-Beta Structures By Chaperones
  申请人：Gebbink Martijn Frans Ben Gerard

  公开号：US20100015126A1

  公开（公告）日：2010-01-21

  The invention relates to the field of biochemistry, biophysical chemistry, molecular biology, structural biology, immunology, cellular biology and medicine. More in particular, the invention relates to the capability (or property) of chaperones to bind a crossbeta structure. Even more in particular, the invention relates to extracellular chaperones such as BiP, haptoglobin, hsp72 or clusterin. The present invention provides the insight that a chaperone molecule and more in specific an extra-cellular chaperone molecule (such as for example BiP, clusterin, hsp72 or haptoglobin) is capable of interacting with a crossbeta structure and/or a molecule comprising a crossbeta structure and/or a molecule comprising a crossbeta structure precursor. Based on this insight, the present inventors have developed multiple methods and means.