苯甲丁氮酮 | 80844-55-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 中文名称: 苯甲丁氮酮
• 中文别名: 氢萘心安
• 英文名称: (2R,2S,2'R)-nadolol
• 英文别名: nadolol(1)；(2R,3S)-5-{[(2R)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-1,2,3,4-tetrahydronaphthalene-2,3-diol；(2R,3S)-5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
• CAS: 80844-55-9
• 化学式: C₁₇H₂₇NO₄
• 分子量: 309.406
• InChiKey: VWPOSFSPZNDTMJ-YUELXQCFSA-N

物化性质

• 沸点：
  526.4±50.0 °C(Predicted)
• 密度：
  1.189±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  82
• 氢给体数：
  4
• 氢受体数：
  5

安全信息

• 海关编码：
  2922509090

反应信息

• 作为产物：
  描述：

  苯甲丁氮酮 在 二乙胺 作用下， 以 乙醇 、 正庚烷 为溶剂， 生成 苯甲丁氮酮 、 (2S,2R,2'S)-nadolol 、 苯甲丁氮酮 、 (2S,2R,2'R)-nadolol
  参考文献：
  名称：

  解析和制备规模的手性液相色谱法分离纳多洛尔立体异构体

  摘要：

  通过手性液相色谱法在Chiralpak®AD上分离了四种纳多洛尔立体异构体，同时进行了分析规模和制备规模。使用不同的醇-烃混合物对可能的流动相组成进行了筛选。所获得的结果证实了McCarthy（1994）报告的使用20：80：0.3乙醇-己烷-二乙胺，但为在分析规模上完全分离出四种纳多洛尔立体异构体（即混合物30–40：70–）引入了其他可能性。 60：0.3乙醇-庚烷-二乙胺。此外，这项工作描述了保留度和拆分度如何取决于己烷和庚烷混合物中乙醇的含量。纳多洛尔立体异构体的分离也在制备规模上进行，并提出了不同的醇-烃组成，取决于要获得的目标组分。特别是，这项工作提出了使用80：20：0.3乙醇-庚烷-二乙胺流动相通过模拟移动床（SMB）色谱法分离保留度更高的纳多洛尔立体异构体（RSR-纳多洛尔）的实验方法。对于2 g / l的进料浓度，RSR-纳多洛尔可在提取液出口处100％回收，纯度为100％，系统生产率为0

  DOI：

  10.1002/chir.22132

文献信息

• METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS
  申请人：TUFTS MEDICAL CENTER

  公开号：US20160052982A1

  公开（公告）日：2016-02-25

  The present application provides methods for preparing soluble lipidated ligand agents comprising a ligand entity and a lipid entity, and in some embodiments, provides relevant parameters of each of these components, thereby enabling appropriate selection of components to assemble active agents for any given target of interest.

  本申请提供了制备可溶性脂质化配体药剂的方法，包括配体实体和脂质实体，并在某些实施例中提供了这些组分的相关参数，从而使得能够适当选择组分来组装出针对任何感兴趣的靶点的活性药剂。
• Methods and systems for designing and/or characterizing soluble lipidated ligand agents
  申请人：Tufts Medical Center

  公开号：US10233219B2

  公开（公告）日：2019-03-19

  The present application provides methods for preparing soluble lipidated ligand agents comprising a ligand entity and a lipid entity, and in some embodiments, provides relevant parameters of each of these components, thereby enabling appropriate selection of components to assemble active agents for any given target of interest.

  本申请提供了制备由配体实体和脂质实体组成的可溶性脂质配体制剂的方法，在某些实施方案中，还提供了这些成分中每种成分的相关参数，从而能够适当选择成分，为任何给定的感兴趣的靶标组装活性制剂。
• COMPOSITIONS FOR AMELIORATING SYSTEMIC INFLAMMATION AND METHODS FOR MAKING AND USING THEM
  申请人：Maki John

  公开号：US20140170112A1

  公开（公告）日：2014-06-19

  In alternative embodiments the invention provides compositions, e.g., pharmaceutical compositions and preparations, formulations, kits and other products of manufacture, e.g., exemplary drug combinations packaged together or separately in blister packs, lidded blisters or blister cards, or wrapped in paper, plastic or cellophane wrappers (e.g., a shrink wrap), comprising a combination regimen of at least two active ingredients designed to diminish systemic inflammation by targeting (inhibiting) two different, but convergent, signaling pathways, i.e., the sympathetic nervous system and the lipid-derived autacoid system; and methods for making and using these compositions. In alternative embodiments, the compositions of the invention (e.g., the combination of drugs) are used to ameliorate, diminish, treat, block or prevent an inflammatory response secondary to an infection, e.g., a viral infection and/or a reactivation.
• METHODS FOR PROMOTING LIPOLYSIS AND OXIDATION IN LIVER AND ADIPOSE TISSUE USING CATESTATIN
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20150080294A1

  公开（公告）日：2015-03-19

  The invention provides methods for treating obesity in a subject comprising administering an effective amount of catestatin (CST) or its equivalent to a subject afflicted with obesity so as to maintain an effective amount of circulating catestatin in the subject to promote lipolysis and oxidation of released fatty acids in both liver and adipose tissue, thereby, reducing adipose tissue weight and hence treating obesity in the afflicted subject.
• Methods and Systems for Designing and/or Characterizing Soluble Lipidated Ligand Agents
  申请人：Tufts Medical Center

  公开号：US20190135882A1

  公开（公告）日：2019-05-09

  The present application provides methods for preparing soluble lipidated ligand agents comprising a ligand entity and a lipid entity, and in some embodiments, provides relevant parameters of each of these components, thereby enabling appropriate selection of components to assemble active agents for any given target of interest.