(1R,2S,8R,9R,11R)-4,6,14,16-tetrahydroxy-9-[[(1R,2S,9S,11R)-4,6,14,16-tetrahydroxy-4,6,14,16-tetraoxo-3,5,7,10,13,15,17-heptaoxa-4lambda5,6lambda5,14lambda5,16lambda5-tetraphosphatricyclo[9.6.0.02,9]heptadecan-9-yl]oxy]-3,5,7,10,13,15,17-heptaoxa-4lambda5,6lambda5,14lambda5,16lambda5-tetraphosphatricyclo[9.6.0.02,8]heptadecane 4,6,14,16-tetraoxide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,2S,8R,9R,11R)-4,6,14,16-tetrahydroxy-9-[[(1R,2S,9S,11R)-4,6,14,16-tetrahydroxy-4,6,14,16-tetraoxo-3,5,7,10,13,15,17-heptaoxa-4lambda5,6lambda5,14lambda5,16lambda5-tetraphosphatricyclo[9.6.0.02,9]heptadecan-9-yl]oxy]-3,5,7,10,13,15,17-heptaoxa-4lambda5,6lambda5,14lambda5,16lambda5-tetraphosphatricyclo[9.6.0.02,8]heptadecane 4,6,14,16-tetraoxide
• 英文别名: (1R,2S,8R,9R,11R)-4,6,14,16-tetrahydroxy-9-[[(1R,2S,9S,11R)-4,6,14,16-tetrahydroxy-4,6,14,16-tetraoxo-3,5,7,10,13,15,17-heptaoxa-4λ5,6λ5,14λ5,16λ5-tetraphosphatricyclo[9.6.0.02,9]heptadecan-9-yl]oxy]-3,5,7,10,13,15,17-heptaoxa-4λ5,6λ5,14λ5,16λ5-tetraphosphatricyclo[9.6.0.02,8]heptadecane 4,6,14,16-tetraoxide
• 化学式: C₁₂H₂₂O₃₁P₈
• 分子量: 910.07
• InChiKey: RXLGNMWFCSJDNR-UGDNZRGBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.3
• 重原子数：
  51
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  437
• 氢给体数：
  8
• 氢受体数：
  31

文献信息

• PHOSPHORYLATED POLYOLS, PYROPHOSPHATES, AND DERIVATIVES THEREOF HAVING BIOLOGICAL ACTIVITY
  申请人：NormOxys, Inc.

  公开号：US20140142052A1

  公开（公告）日：2014-05-22

  The present invention provides phosphorylated and pyrophosphate derivatives of polyols, and structural derivatives of these compounds, and provides pharmaceutical compositions comprising the same. The compounds and compositions disclosed herein have various biological activities, including for example, as allosteric effectors of hemoglobin and/or as kinase inhibitors. The present invention further provides methods for therapy in human or mammalian patients, and methods for synthesis of biologically active compounds and their intermediates.

  本发明提供了聚醇的磷酸化和焦磷酸酯衍生物，以及这些化合物的结构衍生物，并提供包含它们的药物组合物。本文披露的化合物和组合物具有各种生物活性，例如作为血红蛋白的变构效应物或激酶抑制剂。本发明还提供了用于人类或哺乳动物患者治疗的方法，以及用于合成生物活性化合物及其中间体的方法。