[(1S)-2-hydroxy-2-methyl-1-[(1S,4R,5R,6R,8R,10S,12S,13R,16R,18S,21R)-4,6,12,17,17-pentamethyl-11-oxo-18-[(2S,3R,4S)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propyl] acetate | 1334047-55-0

• 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: [(1S)-2-hydroxy-2-methyl-1-[(1S,4R,5R,6R,8R,10S,12S,13R,16R,18S,21R)-4,6,12,17,17-pentamethyl-11-oxo-18-[(2S,3R,4S)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propyl] acetate
• CAS: 1334047-55-0
• 化学式: C₃₇H₅₈O₁₀
• 分子量: 662.862
• InChiKey: LCIQFCBYTOZSAR-GQKRRPPGSA-N

物化性质

• 沸点：
  773.1±60.0 °C(predicted)
• 密度：
  1.28±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  47
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  152
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  [(1S)-2-hydroxy-2-methyl-1-[(1S,4R,5R,6R,8R,10S,12S,13R,16R,18S,21R)-4,6,12,17,17-pentamethyl-11-oxo-18-[(2S,3R,4S)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propyl] acetate 在 sodium tetrahydroborate 、 sodium periodate 、 乙醇 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 、 水 、 乙酸乙酯 为溶剂， 反应 18.33h， 生成 (2S)-2-[[(3β,15α,16α,23R,24S)-24-acetyloxy-16,23-epoxy-15,25-dihydroxy-9,19-cyclolanostan-3-yl]oxy]-4-[1-(tertbutoxycarbonyl)azetidin-3-yl]morpholine
  参考文献：
  名称：

  [EN] COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS
  [FR] COMPOSÉS UTILES POUR LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES

  摘要：

  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这类疾病严重程度的方法，其中该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。

  公开号：

  WO2013036669A1

文献信息

• [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。
• [EN] COMPOUNDS FOR USE IN TREATING NEURODEGENERATIVE DISORDERS, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO<br/>[FR] COMPOSÉS UTILES POUR LE TRAITEMENT DE MALADIES DÉGÉNÉRATIVES, SYNTHÈSE DE CES COMPOSÉS ET LEURS INTERMÉDIAIRES
  申请人：SATORI PHARMACEUTICALS INC

  公开号：WO2013036665A1

  公开（公告）日：2013-03-14

  The present invention provides methods for preparing compounds useful as modulators of amyloid-beta production. Such compounds are useful for treating or lessening the severity of a neurodegenerative disorder. The present invention also provides intermediates useful in carrying out such synthetic methods. Compounds of this invention are further illustrated by the embodiments, sub-embodiments, and species disclosed herein.

  本发明提供了用作淀粉样蛋白β产生调节剂的化合物制备方法。这些化合物可用于治疗或减轻神经退行性疾病的严重程度。本发明还提供了在执行这些合成方法中有用的中间体。本发明的化合物通过本文所披露的实施方式、子实施方式和种属进一步加以说明。
• Compounds useful for treating neurodegenerative disorders
  申请人：Bronk Brian Scott

  公开号：US20130060020A1

  公开（公告）日：2013-03-07

  The present invention provides compounds of formula I: or a pharmaceutically acceptable salt thereof, wherein R x is as defined and described herein, compositions thereof, and methods of using the same.

  本发明提供了公式I的化合物：或其药学上可接受的盐，其中Rxis的定义和描述如本文所述，以及其组合物和使用方法。
• Minimization of drug–drug interaction risk and candidate selection in a natural product-based class of gamma-secretase modulators
  作者：Jed L. Hubbs、Nathan O. Fuller、Wesley F. Austin、Ruichao Shen、Jianguo Ma、Zhen Gong、Jian Li、Timothy D. McKee、Robyn M.B. Loureiro、Barbara Tate、Jo Ann Dumin、Jeffrey Ives、Brian S. Bronk

  DOI：10.1016/j.bmcl.2015.01.051

  日期：2015.4

  Early lead compounds in this gamma secretase modulator series were found to potently inhibit CYP3A4 and other human CYP isoforms increasing their risk of causing drug-drug-interactions (DDIs). Using structure-activity relationships and CYP3A4 structural information, analogs were developed that minimized this DDI potential. Three of these new analogs were further characterized by rat PK, rat PK/PD and rat exploratory toxicity studies resulting in selection of SPI-1865 (14) as a preclinical development candidate. (C) 2015 Elsevier Ltd. All rights reserved.
• COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS
  申请人：Bronk Brian Scott

  公开号：US20110251379A1

  公开（公告）日：2011-10-13

  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.