(4R)-4-Hydroxy-6,6-dimethylheptan-2-one | 637744-08-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4R)-4-Hydroxy-6,6-dimethylheptan-2-one
• 英文别名: (4R)-4-hydroxy-6,6-dimethylheptan-2-one
• CAS: 637744-08-2
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: NLPZIGGCFDZDQT-QMMMGPOBSA-N

物化性质

• 沸点：
  232.5±13.0 °C(Predicted)
• 密度：
  0.919±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,3-二甲基丁醛 、 丙酮 在 H-L-Pro-D-Ala-D-Asp-NH₂ 作用下， 生成 (4S)-4-hydroxy-6,6-dimethylheptan-2-one 、 (4R)-4-Hydroxy-6,6-dimethylheptan-2-one
  参考文献：
  名称：

  增加的结构复杂性导致更高的活性：肽作为不对称羟醛反应的有效和通用催化剂。

  摘要：

  [反应：见正文]含有彼此特定方向的仲胺和羧酸的肽被认为是不对称醛醇缩合反应的高效催化剂：（1）与脯氨酸相比，其活性高得多；和（2）肽催化剂的对映选择性可以通过二级结构的简单修饰从（R）-改变为（S）-选择性。

  DOI：

  10.1021/ol0500259

文献信息

• TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS
  申请人：The Cleveland Clinic Foundation

  公开号：US20160089387A1

  公开（公告）日：2016-03-31

  Provided herein are compositions, systems, and methods for treating a disease, such as kidney and/or cardiovascular disease, with an agent that reduces the production of trimethylamine (TMA) or trimethylamine-n-oxide (TMAO) in a subject. In certain embodiments, the agent is: i) 3,3-dimethyl-1-butanol (DMB) or a DMB derivative or related compound, ii) acetylsalicylic acid or derivative thereof (e.g., with an enteric coating for delivery to the colon and/or cecum); iii) a flavin monooxygenase 3 (FMO3) inhibitor; iv) a gut TMA lyase inhibitor; v) an antibiotic or antimicrobial; vi) a probiotic or prebiotic; vii) an antiplatelet agent; or viii) a TMA and/or TMAO sequestering agent.
• TREATMENT AND PREVENTION OF CARDIOVASCULAR DISEASE AND THROMBOSIS
  申请人：The Cleveland Clinic Foundation

  公开号：US20160101062A1

  公开（公告）日：2016-04-14

  Provided herein are compositions for the treatment and/or prevention of cardiovascular disease (CVD), and methods of application and use thereof. In particular, the present invention provides treatment and/or prevention of cardiovascular disease with compounds that inhibit the production of TMA in the gut, such as 3,3-dimethyl-1-butanol (DMB) or other compounds represented by Formula I or as shown in FIGS. 20 - 23.
• US9168233B2
  申请人：——

  公开号：US9168233B2

  公开（公告）日：2015-10-27
• US9694020B2
  申请人：——

  公开号：US9694020B2

  公开（公告）日：2017-07-04
• Increased Structural Complexity Leads to Higher Activity:  Peptides as Efficient and Versatile Catalysts for Asymmetric Aldol Reactions
  作者：Philipp Krattiger、Roman Kovasy、Jefferson D. Revell、Stanislav Ivan、Helma Wennemers

  DOI：10.1021/ol0500259

  日期：2005.3.1

  [reaction: see text] Peptides containing a secondary amine and a carboxylic acid in a specific orientation to each other are presented as highly efficient catalysts for asymmetric aldol reactions: (1) their activity is considerably higher compared to that of proline, and (2) the enantioselectivity of the peptidic catalysts can be changed from (R)- to (S)-selectivity by simple modifications of the secondary

  [反应：见正文]含有彼此特定方向的仲胺和羧酸的肽被认为是不对称醛醇缩合反应的高效催化剂：（1）与脯氨酸相比，其活性高得多；和（2）肽催化剂的对映选择性可以通过二级结构的简单修饰从（R）-改变为（S）-选择性。