[(1S)-2-hydroxy-1-[(1S,4R,5R,6R,8R,10S,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S)-4-(2-pyrrolidin-1-ylethyl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]-2-methylpropyl] acetate | 1334045-18-9

• 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-1-[(1S,4R,5R,6R,8R,10S,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S)-4-(2-pyrrolidin-1-ylethyl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]-2-methylpropyl] acetate
• CAS: 1334045-18-9
• 化学式: C₄₂H₇₀N₂O₇
• 分子量: 715.027
• InChiKey: HHPRLSIKEHOCKH-GYTYNMETSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  51
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (3β,16α,17R,23R,24S)-24-(acetyloxy)-16,23-epoxy-25-hydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-15-one 在 sodium tetrahydroborate 、 sodium periodate 作用下， 以 甲醇 、 水 、 乙酸乙酯 为溶剂， 反应 18.0h， 生成 [(1S)-2-hydroxy-1-[(1S,4R,5R,6R,8R,10S,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S)-4-(2-pyrrolidin-1-ylethyl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]-2-methylpropyl] acetate
  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

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。
• 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.
• Initial Optimization of a New Series of γ-Secretase Modulators Derived from a Triterpene Glycoside
  作者：Nathan O. Fuller、Jed L. Hubbs、Wesley F. Austin、Steffen P. Creaser、Timothy D. McKee、Robyn M. B. Loureiro、Barbara Tate、Weiming Xia、Jeffrey L. Ives、Mark A. Findeis、Brian S. Bronk

  DOI：10.1021/ml300256p

  日期：2012.11.8

  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.