(R)-3-(2-isopropylphenoxy)-propane-1,2-diol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (R)-3-(2-isopropylphenoxy)-propane-1,2-diol
• 英文别名: (2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol
• 化学式: C₁₂H₁₈O₃
• 分子量: 210.273
• InChiKey: MUNHNZSWOMILSF-SNVBAGLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异丙苯酚 在 吡啶 、 4-二甲氨基吡啶 、 sodium hydroxide 、 baker's yeast 、 草酰氯 、 sodium phosphate buffer 、 二甲基亚砜 、 三乙胺 、 蔗糖 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 3.83h， 生成 (R)-3-(2-isopropylphenoxy)-propane-1,2-diol
  参考文献：
  名称：

  Baker's yeast mediated stereoselective biotransformation of 1-acetoxy-3-aryloxypropan-2-ones

  摘要：

  A series of 1-acetoxy-3-aryloxypropan-2-ones la-m were synthesized and subjected to biotransformation by baker's yeast yielding optically active monoacetates 5 or ent-5 and/or diols 4 of moderate to excellent enantiomeric purity. The dependence of the reduction/hydrolysis ratio and stereoselectivity on the size and substitution pattern of the aromatic moiety in the substrate is also discussed. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(97)00626-5

文献信息

• Three different types of chirality-driven crystallization within the series of uniformly substituted phenyl glycerol ethers
  作者：Alexander A. Bredikhin、Zemfira A. Bredikhina、Victorina G. Novikova、Alexander V. Pashagin、Dmitry V. Zakharychev、Aidar T. Gubaidullin

  DOI：10.1002/chir.20648

  日期：2008.10

  derived and binary phase diagrams were reconstructed for the whole family. Solid racemic compounds stabilities were ranked for the four substances. Spontaneous resolution was established for the registered chiral drug mephenesin and its ethyl analogue. Metastable anomalous conglomerate, forming crystals having three independent R* and one independent S* molecules in the unit cell, is formed during solution

  七个手性芳基甘油醚2-RC（6）H（4）-O-CH（2）CH（OH）CH（2）OH（R ​​= H，Me，Et，烯丙基，n-Pr，i-Pr，叔-Bu）以外消旋和垢的形式合成。测量了每个物种的外消旋和尺度样品的红外光谱，熔点和熔融焓，导出了液态混合的对映异构体的熵和外消旋化合物形成的Gibbs自由能，并重建了二元相图。整个家族。对这四种物质的固态外消旋化合物稳定性进行了排名。建立了注册手性药物美芬素及其乙基类似物的自发拆分。在叔丁基衍生物的溶液结晶过程中，形成了亚稳态异常聚集体，形成了在晶胞中具有三个独立的R *和一个独立的S *分子的晶体。
• SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS
  申请人：GlaxoSmithKline, LLC

  公开号：US20140288052A1

  公开（公告）日：2014-09-25

  Provided herein are novel substituted bicyclic aza-heterocycle sirtuin-modulating compounds and methods of use thereof. The sirtuin-modulating compounds may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders including, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. Also provided are compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

  本文提供了新型取代的双环氮杂杂环类sirtuin调节化合物及其使用方法。这些sirtuin调节化合物可用于延长细胞寿命，并治疗和/或预防各种疾病和障碍，包括与衰老或压力有关的疾病或障碍、糖尿病、肥胖症、神经退行性疾病、心血管疾病、血液凝块障碍、炎症、癌症和/或潮红，以及需要增强线粒体活性的疾病或障碍。还提供了包含sirtuin调节化合物与另一种治疗剂组合的组合物。
• Substituted Bicyclic Aza-Heterocycles and Analogues as Sirtuin Modulators
  申请人：GlaxoSmithKline, LLC

  公开号：US20140249147A1

  公开（公告）日：2014-09-04

  Provided herein are novel substituted bicyclic aza-heterocycle sirtuin-modulating compounds and methods of use thereof. The sirtuin-modulating compounds may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders including, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. Also provided, are compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

  本文提供了一种新型的取代双环氮杂杂环类Sirtuin调节化合物及其使用方法。这些Sirtuin调节化合物可用于增加细胞寿命，治疗和/或预防各种疾病和疾病，包括与衰老或压力有关的疾病或疾病、糖尿病、肥胖症、神经退行性疾病、心血管疾病、血液凝块性疾病、炎症、癌症和/或潮红，以及需要增加线粒体活性的疾病或疾病。同时，还提供了包含Sirtuin调节化合物和另一种治疗剂的组合物。
• US9957271B2
  申请人：——

  公开号：US9957271B2

  公开（公告）日：2018-05-01