1,3,4,5,6-Pentakisbenzoylmyoinositol | 20770-57-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,3,4,5,6-Pentakisbenzoylmyoinositol
• 英文别名: 1,3,4,5,6-Penta-O-benzoyl-myo-inosit；1.3.4.5.6-Penta-O-benzoyl-myo-inosit；myo-Inosit-1,3,4,5,6-penta-O-benzoat；1.3.4.5.6-Penta-O-benzoyl-myoinosit
• CAS: 20770-57-4
• 化学式: C₄₁H₃₂O₁₁
• 分子量: 700.698
• InChiKey: BHMFLHFLQRSOPC-JMDOZSPTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  52.0
• 可旋转键数：
  10.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  151.73
• 氢给体数：
  1.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  1,3,4,5,6-Pentakisbenzoylmyoinositol 在 chromium(VI) oxide 作用下， 以 溶剂黄146 为溶剂， 以90%的产率得到2,3,4,5,6-penta-O-benzyl-scyllo-inosose
  参考文献：
  名称：

  The Oxidation of Partially Acylated Myoinositols

  摘要：

  摘要：通过对肌醇进行受控催化酰化，得到了1,3,4,6-四酰和1,3,4,5,6-五酰肌醇。取代程度取决于反应条件和酰化试剂的结构，包括立体因素。铬酸氧化将酰肌醇转化为相应的2-酮。在电子轰击下，这些化合物经历逐步去酰化。

  DOI：

  10.1515/znb-1996-0114
• 作为产物：
  描述：

  2,3,4,5,6-penta-O-benzyl-scyllo-inosose 在 platinum(IV) oxide 氢气 作用下， 生成 1,3,4,5,6-Pentakisbenzoylmyoinositol
  参考文献：
  名称：

  Synthesis of Some Substituted Cyclitols and Correlation of Structure with Their Spectra¹

  摘要：

  DOI：

  10.1021/jo01062a066

文献信息

• Synthesis of optically active derivatives of myo-inositol
  作者：D. Mercier、J.E.G. Barnett、S.D. Géro

  DOI：10.1016/s0040-4020(01)83075-1

  日期：1969.1

  6-di-O-cyclohexylidene-2-O-methyl-1-O-toluene-p-sulphonyl-chiro-inositol obtained from quebrachitol, 1l-2-O-methyl-chiro-inositol. This optically active toluene-p-sulphonyl derivative, which is by inversion at C-1, a potential source of optically active myo-inositol derivatives, has, after benzoylation, been converted into a mixture of 1d-1,2,4,5,6-penta-O-benzoyl-myo-inositol and 1,3,4,5,6-penta-O-benzoyl-myo-inositol

  1 l-1-O-甲苯-p-磺酰基-手性肌醇5是通过1l-3,4：5,6-di-O-cyclohexylidene-2的选择性去氧甲基化和去环己基化制备的得自槲皮醇的1-O-甲基-1-O-甲苯-对-磺酰基-手性肌醇，1l-2-O-甲基-手性肌醇。此光学活性甲苯p -磺酰基衍生物，其是通过在反转C-1，光学活性的潜在来源肌醇肌醇衍生物，已，苯甲酰化后，被转换成一维-1,2,4,5-的混合物，6-五-O-苯甲酰基肌肌醇和1,3,4,5,6-五-O-苯甲酰基肌-肌醇，被分离。来自前，后的磷酸化和脱苯甲酰化，1L-肌醇-1-磷酸，酶的产物，葡萄糖肌醇-6-磷酸-1-磷酸化酶，得到作为结晶二环己胺盐。
• A short step and practical synthesis of myo-inositol 1,3,4,5-tetrakisphosphate.
  作者：Yutaka WATANABE、Tomoiti SHINOHARA、Takahiro FUJIMOTO、Shoichiro OZAKI

  DOI：10.1248/cpb.38.562

  日期：——

  The reaction of myo-inositol with benzoly chloride gave 1, 3, 4, 5-tetra-O-benzoyl-myo-inositol as a major product which was conveniently converted to myo-inositol 1, 3, 4, 5-tetrakisphosphate. The tetrabenzoate was optically resolved by means of chiral column chromatography using Chiralcel OD.

  肌醇与苯甲酸氯反应生成了主要产物1, 3, 4, 5-四-O-苯甲酰肌醇，该产物方便地转化为肌醇1, 3, 4, 5-四磷酸。四苯酸酯通过使用Chiralcel OD的手性柱色谱进行了光学分离。
• Inositol compounds and uses of same in the treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence
  申请人：Cruz Antonio

  公开号：US20070111970A1

  公开（公告）日：2007-05-17

  Inositol derivatives are described that are represented by the structural formula I wherein X is a radical of scyllo-inositol wherein one or more of R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are independently alkyl, alkenyl, alkynyl, alkylene, alkenylene, alkoxy, alkenyloxy, cycloalkyl, cycloalkenyl, cycloalkoxy, aryl, aryloxy, arylalkoxy, aroyl, heteroaryl, heterocyclic, acyl, acyloxy, sulfoxide, sulfate, sulfonyl, sulfenyl, sulfonate, sulfinyl, amino, imino, azido, thiol, thioalkyl, thioalkoxy, thioaryl, nitro, cyano, halo, seleno, silyl, silyloxy, silylthio, carboxyl, carbonyl, carbamoyl, or carboxamide and the other of R 1 , R 2 , R 3 , R 4 , R 5 , or R 6 are hydroxyl, or pharmaceutically acceptable salts thereof. The compounds, compositions comprising same and methods using same are described for use in the prevention and/or treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence.
• SCYLLO-INOSITOL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES CHARACTERIZED BY ABNORMAL PROTEIN FOLDING OR AGGREGATION OR AMYLOID FORMATION, DEPOSITION, ACCUMULATION OR PERSISTENCE
  申请人：Cruz Antonio

  公开号：US20090170957A1

  公开（公告）日：2009-07-02

  Scyllo-Inositol derivatives represented by structural formula II are described, wherein at least one and not more than five of R 1 , R 2 , R 3 , R 4 , R 5 and R 6 is hydroxyl and the other of R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are independently alkyl, alkenyl, alkynyl, alkylene, alkenylene, alkoxy, alkenyloxy, cycloalkyl, cycloalkenyl, cycloalkoxy, aryl, aryloxy, arylalkoxy, aroyl, heteroaryl, heterocyclic, acyl, acyloxy, sulfoxide, sulfate, sulfonyl, sulfenyl, sulfonate, sulfinyl, ammo, lmmo, azido, thiol, thioalkyl, thioaryl, mtro, cyano, halo, seleno, silyl, silyloxy, silylthio, carboxyl, carbonyl, carbamoyl or carbamide, or pharmaceutically acceptable salts thereof. Said derivatives and compositions comprising the same are useful in the prevention and/or treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, deposition, accumulation or persistence.
• Inositol Compounds and Uses of Same in the Treatment of Diseases Characterized by Abnormal Protein Folding or Aggregation or Amyloid Formation, Desposition, Accumulation or Persistence
  申请人：Curz Antonio

  公开号：US20100105631A1

  公开（公告）日：2010-04-29

  Inositol derivatives are described that are represented by the structural formula I wherein X is a radical of scyllo-inositol wherein one or more of R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are independently alkyl, alkenyl, alkynyl, alkylene, alkenylene, alkoxy, alkenyloxy, cycloalkyl, cycloalkenyl, cycloalkoxy, aryl, aryloxy, arylalkoxy, aroyl, heteroaryl, heterocyclic, acyl, acyloxy, sulfoxide, sulfate, sulfonyl, sulfenyl, sulfonate, sulfinyl, amino, imino, azido, thiol, thioalkyl, thioalkoxy, thioaryl, nitro, cyano, halo, seleno, silyl, silyloxy, silylthio, carboxyl, carbonyl, carbamoyl, or carboxamide and the other of R 1 , R 2 , R 3 , R 4 , R 5 , or R 6 are hydroxyl, or pharmaceutically acceptable salts thereof. The compounds, compositions comprising same and methods using same are described for use in the prevention and/or treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence.