三焦磷酸肌醇 | 802590-64-3

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 三焦磷酸肌醇
• 英文名称: Myo-inositol trispyrophosphate
• 英文别名: 4,6,11,13,18,20-hexahydroxy-3,5,7,10,12,14,17,19,21-nonaoxa-4λ5,6λ5,11λ5,13λ5,18λ5,20λ5-hexaphosphatetracyclo[14.5.0.02,8.09,15]henicosane 4,6,11,13,18,20-hexaoxide
• CAS: 802590-64-3
• 化学式: C₆H₁₂O₂₁P₆
• 分子量: 605.99
• InChiKey: HEDKSUBRULAYNO-UHFFFAOYSA-N

物化性质

• 沸点：
  862.3±75.0 °C(Predicted)
• 密度：
  2.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -7.3
• 重原子数：
  33
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  307
• 氢给体数：
  6
• 氢受体数：
  21

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。
• Inositol pyrophosphates, and methods of use thereof
  申请人：Nicolau Claude Yves

  公开号：US20070207986A1

  公开（公告）日：2007-09-06

  The present invention comprises compounds, compositions thereof, and methods capable of delivering modified inositol hexaphosphate (IHP) comprising an internal pyrophosphate ring to the cytoplasm of mammalian cells. In certain embodiments, the present invention relates to compounds, compositions thereof, and methods that enhance the ability of mammalian red blood cells to deliver oxygen, by delivering IHP to the cytoplasm of the red blood cells.

  本发明包括化合物、其组合物和方法，能够将含有内部焦磷酸酯环的修饰肌醇六磷酸(IHP)传递到哺乳动物细胞的细胞质中。在某些实施例中，本发明涉及化合物、其组合物和方法，通过将IHP传递到红细胞的细胞质中，增强哺乳动物红细胞输送氧气的能力。
• INOSITOL PYROPHOSPHATES, AND METHODS OF USE THEREOF
  申请人：NICOLAU Yves Claude

  公开号：US20110281825A1

  公开（公告）日：2011-11-17

  The present invention comprises compounds, compositions thereof, and methods capable of delivering modified inositol hexaphosphate (IHP) comprising an internal pyrophosphate ring to the cytoplasm of mammalian cells. In certain embodiments, the present invention relates to compounds, compositions thereof, and methods that enhance the ability of mammalian red blood cells to deliver oxygen, by delivering IHP to the cytoplasm of the red blood cells.

  本发明包括化合物、其组合物和方法，能够将具有内部焦磷酸酯环的修饰肌醇六磷酸（IHP）输送到哺乳动物细胞的细胞质中。在某些实施例中，本发明涉及化合物、其组合物和方法，通过将IHP输送到红细胞的细胞质中，增强哺乳动物红细胞输送氧气的能力。
• CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS
  申请人：Lehn Jean-Marie

  公开号：US20130190524A1

  公开（公告）日：2013-07-25

  The present invention is directed to polyphosphorylated and pyrophosphate derivatives of cyclitols. More particularly, the invention relates to polyphosphorylated and pyrophosphate derivatives of inositols. The invention also relates to compositions of the polyphosphorylated and pyrophosphate derivatives of inositol and other similar, more lipophilic derivatives, and their use as allosteric effectors, cell-signaling molecule analogs, and therapeutic agents.
• TUMOR ERADICATION BY INOSITOL-TRIPYROPHOSPHATE
  申请人：NormOxys, Inc.

  公开号：US20170027966A1

  公开（公告）日：2017-02-02

  The present invention relates to various salts of inositol tripyrophosphate including the calcium, lithium, beryllium, magnesium, potassium, strontium, barium, rubidium and cesium salts of inositol tripyrophosphate, compositions comprising these salts, methods of making the various salts, and methods of use of the above salts. Methods of use include administering the above salts in an effective amount in individuals for the treatment of various types of cancers, Alzheimer's disease, stroke and osteoporosis.