(S)-3-methyl-4-oxohexanoic acid | 152212-63-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: (S)-3-methyl-4-oxohexanoic acid
• 英文别名: (3S)-3-methyl-4-oxohexanoic acid
• CAS: 152212-63-0
• 化学式: C₇H₁₂O₃
• 分子量: 144.17
• InChiKey: OSYHNMCMWCWLCT-YFKPBYRVSA-N

物化性质

• 沸点：
  260.2±13.0 °C(Predicted)
• 密度：
  1.058±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙二醇 、 (S)-3-methyl-4-oxohexanoic acid 在 4-甲基苯磺酸吡啶 作用下， 以 苯 为溶剂， 生成 (S)-3-(2-Ethyl-[1,3]dioxolan-2-yl)-butyric acid
  参考文献：
  名称：

  Catalytic Antibodies in Organic Synthesis. Asymmetric Synthesis of (-)-.alpha.-Multistriatin

  摘要：

  DOI：

  10.1021/ja00117a051
• 作为产物：
  描述：

  三甲基(戊-2-烯-3-氧基)硅烷 在 sodium hydroxide 、 甲基锂 、 三乙胺 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 2.5h， 生成 (S)-3-methyl-4-oxohexanoic acid
  参考文献：
  名称：

  Enzymatic resolution of 3-substituted-4-oxoesters.

  摘要：

  The lipase catalyzed hydrolysis of cyanomethyl 3-substituted-4-oxoesters was studied. With 3-methyl substituted esters, PPL led to optically active compounds. When the 3-substituent was a larger group, more satisfactory results were obtained with PL, especially if the substituent attached to the ketone function is other from methyl.

  DOI：

  10.1016/s0957-4166(00)80116-0

文献信息

• COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES
  申请人：Palczewski Krzysztof

  公开号：US20100135977A1

  公开（公告）日：2010-06-03

  A pharmaceutical composition for treating a metabolic disease in a mammalian subject includes a therapeutically effective amount of all-trans-13,14-dihydroretinoid, all-trans-13,14-dihydroretinoid derivative, or agent capable of modulating the level of at least one all-trans-13,14-dihydroretinoid or all-trans-13,14-dihydroretinoid derivative in the subject.

  一种用于治疗哺乳动物主体代谢性疾病的药物组合物，包括治疗有效量的全反式-13,14-二氢视黄醛、全反式-13,14-二氢视黄醛衍生物或能够调节主体中至少一种全反式-13,14-二氢视黄醛或全反式-13,14-二氢视黄醛衍生物水平的药剂。
• Inhibitors of interleukin-1Beta converting enzyme
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP2123665A2

  公开（公告）日：2009-11-25

  The present invention relates to novel classes of compounds which are inhibitors of interleukin-1β converting enzyme. The ICE inhibitors of this invention are characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting ICE activity and consequently may be advantageously used as agents against interleukin-1 mediated diseases, including inflammatory diseases, autoimmune diseases and neurodegenerative diseases. This invention also relates to methods for inhibiting ICE activity and methods for treating interleukin-1 mediated diseases using the compounds and compositions of this invention.

  本发明涉及一类新型化合物，它们是白细胞介素-1β转换酶的抑制剂。本发明的 ICE 抑制剂具有特定的结构和理化特征。本发明还涉及包含这些化合物的药物组合物。本发明的化合物和药物组合物特别适用于抑制 ICE 的活性，因此可作为抗白细胞介素-1 介导的疾病（包括炎症性疾病、自身免疫性疾病和神经退行性疾病）的药物。本发明还涉及抑制 ICE 活性的方法以及使用本发明化合物和组合物治疗白细胞介素-1 介导的疾病的方法。
• PEPTIDE-POLYPEPTIDE CO-ASSEMBLED NANOPARTICLES FOR DRUG DELIVERY
  申请人：B. G. Negev Technologies and Applications Ltd., at Ben-Gurion University

  公开号：US20170258735A1

  公开（公告）日：2017-09-14

  Provided are co-assembled nanoparticles including at least one polypeptide including a polyanion; and at least one amphiphilic peptide capable of forming a β-sheet structure, a derivative or a salt thereof, the amphiphilic peptide including at least 2 pairs of alternating hydrophobic/hydrophilic amino acid residues in which the hydrophilic amino acid residue is positively charged, and methods of preparation of the nanoparticles. Further provided are pharmaceutical compositions including the co-assembled nanoparticles and a pharmaceutically active ingredient, dissolved, entrapped, encapsulated or attached to the co-assembled nanoparticles. Further provided are therapeutic uses of the pharmaceutical compositions.
• US8338394B2
  申请人：——

  公开号：US8338394B2

  公开（公告）日：2012-12-25
• Enzymatic resolution of 3-substituted-4-oxoesters.
  作者：L. Blanco、G. Rousseau、J.-P. Barnier、E. Guibé-Jampel

  DOI：10.1016/s0957-4166(00)80116-0

  日期：1993.5

  The lipase catalyzed hydrolysis of cyanomethyl 3-substituted-4-oxoesters was studied. With 3-methyl substituted esters, PPL led to optically active compounds. When the 3-substituent was a larger group, more satisfactory results were obtained with PL, especially if the substituent attached to the ketone function is other from methyl.