24-O-acetylhydroshengmanol 3-[beta]-D-xylopyranoside(delta16,17)-enol ether | 78213-32-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 24-O-acetylhydroshengmanol 3-[beta]-D-xylopyranoside(delta16,17)-enol ether
• 英文别名: 24-O-acetylhydroshengmanol 3-β-D-xylopyranoside (δ-16,17)-enol ether；O-acetylhydroshengmanol 3-β-D-xylopyranoside (δ-16,17)-enol ether；24-O-acetylhydroshengmanol 3-β-D-xylopyranoside (delta-16,17)-enol ether；[(1S)-2-hydroxy-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate
• CAS: 78213-32-8
• 化学式: C₃₇H₅₈O₁₀
• 分子量: 662.862
• InChiKey: ZCSVUFHAYKXCBP-VHJINFGPSA-N

物化性质

• 熔点：
  235-237 °C
• 沸点：
  787.5±60.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  47
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  155
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  24-O-acetylhydroshengmanol 3-[beta]-D-xylopyranoside(delta16,17)-enol ether 在 sodium tetrahydroborate 、 sodium periodate 、 氯化锆(IV) 作用下， 以 甲醇 、 二氯甲烷 、 水 、 乙酸乙酯 为溶剂， 反应 20.0h， 生成 2-[(2S)-2-[[(1S,4R,5R,6R,8R,10S,11R,12S,13R,16R,18S,21R)-8-[(1S)-1-acetyloxy-2-hydroxy-2-methylpropyl]-11-hydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-yl]oxy]morpholin-4-yl]acetic acid
  参考文献：
  名称：

  Initial Optimization of a New Series of γ-Secretase Modulators Derived from a Triterpene Glycoside

  摘要：

  The discovery of a new series of gamma-secretase modulators is disclosed Starting from a triterpene glycoside gamma-secretase modulator that gave a very low brain-to-plasma ratio, initial SAR and optimization involved replacement of a pendant sugar with a series of morpholines. This modification led to two compounds with significantly improved central nervous system (CNS) exposure.

  DOI：

  10.1021/ml300256p
• 作为产物：
  描述：

  24-O-acetylhydroshengmanol 3-O-β-D-xylopyranoside 在 溶剂黄146 、 三氟乙酸 作用下， 以 甲醇 为溶剂， 反应 3.5h， 生成 24-O-acetylhydroshengmanol 3-[beta]-D-xylopyranoside(delta16,17)-enol ether
  参考文献：
  名称：

  WO2008/136863

  摘要：

  公开号：

文献信息

• [EN] COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS<br/>[FR] COMPOSÉS UTILES POUR LE TRAITEMENT DE TROUBLES NEURODÉGÉNÉRATIFS
  申请人：SATORI PHARMACEUTICALS INC

  公开号：WO2011109657A1

  公开（公告）日：2011-09-09

  As described herein, the present invention provides compounds useful for treating or lessening the severity of a neurodegenerative disorder. The present invention also provides methods of treating or lessening the severity of such disorders wherein said method comprises administering to a patient a compound of the present invention, or composition thereof. Said method is useful for treating or lessening the severity of, for example, Alzheimer's disease.

  如本文所述，本发明提供了用于治疗或减轻神经退行性疾病严重程度的化合物。本发明还提供了治疗或减轻此类疾病严重程度的方法，其中所述方法包括向患者施用本发明的化合物或其组合物。该方法适用于治疗或减轻例如阿尔茨海默病等疾病的严重程度。
• [EN] COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS<br/>[FR] COMPOSÉS UTILES POUR TRAITEMENT DE TROUBLES NEURODÉGÉNÉRATIFS
  申请人：SATORI PHARMACEUTICALS INC

  公开号：WO2013036684A1

  公开（公告）日：2013-03-14

  The present invention provides compounds of formula I: or a pharmaceutically acceptable salt thereof, wherein each of the variables listed above are as defined and described herein, compositions thereof, and methods of using the same.

  本发明提供了式I的化合物：或其药学上可接受的盐，上述列出的每个变量如本文所定义和描述的那样，以及其组合物和使用方法。
• SYNTHESIS OF COMPOUNDS USEFUL AS MODULATORS OF AMYLOID-BETA PRODUCTION
  申请人：Satori Pharmaceuticals, Inc.

  公开号：EP2073638B1

  公开（公告）日：2013-05-15
• Compounds useful for treating neurodegenerative disorders
  申请人：Findeis A. Mark

  公开号：US20070010503A1

  公开（公告）日：2007-01-11

  As described herein, the present invention provides compounds useful for treating or lessening the severity of a neurodegenerative disorder. The present invention also provides methods of treating or lessening the severity of such disorders wherein said method comprises administering to a patient a compound of the present invention, or composition thereof. Said method is useful for treating or lessening the severity of, for example, Alzheimer's disease.
• COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS
  申请人：FINDEIS Mark A.

  公开号：US20100144689A1

  公开（公告）日：2010-06-10

  As described herein, the present invention provides compounds useful for treating or lessening the severity of a neurodegenerative disorder. The present invention also provides methods of treating or lessening the severity of such disorders wherein said method comprises administering to a patient a compound of the present invention, or composition thereof. Said method is useful for treating or lessening the severity of, for example, Alzheimer's disease.