23:45-二异亚丙基-肌醇 | 211294-75-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 23:45-二异亚丙基-肌醇
• 英文名称: (+/-)-1-O-2,3:4,5-di-O-isopropylidene-myo-inositol
• 英文别名: (1S,2S,6S,7S,8S,9R)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane-7,8-diol
• CAS: 211294-75-6
• 化学式: C₁₂H₂₀O₆
• 分子量: 260.287
• InChiKey: ZQZGHZYIHMUHSI-IIZWTSTJSA-N

物化性质

• 沸点：
  395.0±42.0 °C(Predicted)
• 密度：
  1.240±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  77.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  23:45-二异亚丙基-肌醇 在 吡啶 、 lithium hydroxide 、 三甲基溴硅烷 、 双氧水 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 Ins(1,2,4,5,6)P5
  参考文献：
  名称：

  Syntheses of two enantiomeric pairs of myo-inositol(1,2,4,5,6) and -(1,2,3,4,5) pentakisphosphate

  摘要：

  Two enantiomeric pairs of myo-inositol(1,2,4,5,6)P-5 and -(1,2,3,4,5)P-5 have efficiently been synthesized by means of the lipase catalyzed acetylation of 1,2:5,6-di-O-isopropylidene-myo-inositol and the benzoyl migration procedure. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00245-5
• 作为产物：
  描述：

  (±)-1,2:5,6-di-O-isopropylidene-myo-inositol 生成 23:45-二异亚丙基-肌醇
  参考文献：
  名称：

  Syntheses of two enantiomeric pairs of myo-inositol(1,2,4,5,6) and -(1,2,3,4,5) pentakisphosphate

  摘要：

  Two enantiomeric pairs of myo-inositol(1,2,4,5,6)P-5 and -(1,2,3,4,5)P-5 have efficiently been synthesized by means of the lipase catalyzed acetylation of 1,2:5,6-di-O-isopropylidene-myo-inositol and the benzoyl migration procedure. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00245-5

文献信息

• Pharmaceutical compound and method
  申请人：Bruno-Blanch Luis

  公开号：US20070219164A1

  公开（公告）日：2007-09-20

  A new pharmaceutical compound for treating central nervous disorders, the compound comprising a therapeutically effective amount of valproic acid or pharmaceutically acceptable derivative thereof covalently bonded to myo-inositol. The invention also provides a composition, method for treating a patient and a method for obtaining the compound.

  一种用于治疗中枢神经系统疾病的新药物化合物，该化合物包括治疗有效量的丙戊酸或其药用可接受的衍生物与肌醇共价结合。该发明还提供了一种组合物、治疗患者的方法以及获得该化合物的方法。
• Bai, Chuan; Zhao, Li; Tsai, Ming-Daw, Journal of the American Chemical Society, 2010, vol. 132, p. 1210 - 1211
  作者：Bai, Chuan、Zhao, Li、Tsai, Ming-Daw、Bruzik, Karol S.

  DOI：——

  日期：——
• Divergent Syntheses of All Possible Optically Active Regioisomers of <i>m</i><i>yo</i>-Inositol Tris- and Tetrakisphosphates
  作者：Sung-Kee Chung、Yong-Uk Kwon、Jung-Han Shin、Young-Tae Chang、Changgook Lee、Boo-Gyo Shin、Kyung-Cheol Kim、Mahn-Joo Kim

  DOI：10.1021/jo0257694

  日期：2002.8.1

  Since the discovery Of D-myo-inositol 1,4,5-trisphosphate, which plays a pivotal role as a second messenger in transmembrane signaling, the scope of the phosphoinositide-based signaling processes has been continually expanding. However, the clear understanding of the molecular signal transduction mechanisms including the functions of newly found IPn is still lacking. As a continuing effort to our previously reported syntheses of all possible 39 optically inactive regioisomers of myoinositol phosphates (IPn; n = 1-6), we synthesized all possible optically active regioisomers of myo-IP3 and myo-IP4 using chiral IBz(3)s and IBz(2)s, respectively. A series of procedures involving CRL-catalyzed enzymatic resolution of racemic 1,2:5,6-di-O-isopropylidene-myo-inositoI and base-catalyzed benzoyl migration in tri- and dibenzoyl-isopropylidene-myo-inositol afforded eight enantiomeric pairs of IBz(3) and six enantiomeric pairs of IBz(2), respectively. Phosphorylation of these intermediates by the phosphitylation and oxidation procedure gave the target products.
• US5278332A
  申请人：——

  公开号：US5278332A

  公开（公告）日：1994-01-11
• Syntheses of two enantiomeric pairs of myo-inositol(1,2,4,5,6) and -(1,2,3,4,5) pentakisphosphate
  作者：Sung-Kee Chung、Young-Tae Chang、Eun Jung Lee、Boo-Gyo Shin、Yong-Uk Kwon、Kyung-Cheol Kim、Dong Hyun Lee、Mahn-Joo Kim

  DOI：10.1016/s0960-894x(98)00245-5

  日期：1998.6

  Two enantiomeric pairs of myo-inositol(1,2,4,5,6)P-5 and -(1,2,3,4,5)P-5 have efficiently been synthesized by means of the lipase catalyzed acetylation of 1,2:5,6-di-O-isopropylidene-myo-inositol and the benzoyl migration procedure. (C) 1998 Elsevier Science Ltd. All rights reserved.