3,3-dimethyl-5-oxo-5-isopropylpentanoic acid | 853996-69-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3,3-dimethyl-5-oxo-5-isopropylpentanoic acid
• 英文别名: 3,3,6-Trimethyl-5-oxo-heptansaeure；3,3,6-Trimethyl-5-keto-heptansaeure；3,3,6-trimethyl-5-oxo-heptanoic acid；3,3,6-Trimethyl-5-oxoheptanoic acid
• CAS: 853996-69-7
• 化学式: C₁₀H₁₈O₃
• 分子量: 186.251
• InChiKey: IBRZCCNNYUPFDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 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：

  3,3-dimethyl-5-oxo-5-isopropylpentanoic acid 在 lithium aluminium tetrahydride 、 sodium hexamethyldisilazane 、 tetra-N-butylammonium tribromide 、 三甲基乙酰氯 、 三乙胺 、 原甲酸三甲酯 作用下， 以 四氢呋喃 为溶剂， 反应 77.08h， 生成
  参考文献：
  名称：

  Norsampsones A和B，Garcinielliptones N和O和Hyperscabrin A的全合成。

  摘要：

  描述了五种脱羰多环多烯丙基化酰基间苯三酚降雪片碱A（3）和B（4），藤黄内酯O（5）和N（6）和高s素A（7）的不对称全合成。通过关键的Dieckmann缩合完成了构建这些天然产物的核心取代环己酮环的合成。分子的手性是通过用埃文斯的恶唑烷酮进行立体选择性烷基化而引入的。合成可以克级进行，通过DFT计算研究了Dieckmann缩合反应，以帮助提高藤黄素O的收率（5）。还确定了藤黄素O（5）和N（6）的绝对构型。

  DOI：

  10.1021/acs.jnatprod.8b00763
• 作为产物：
  描述：

  2,2,5,5-四甲基环己烷-1,4-二酮 在 sodium hydroxide 作用下， 生成 3,3-dimethyl-5-oxo-5-isopropylpentanoic acid
  参考文献：
  名称：

  137.二氢间苯二酚。第一部分：取代的二氢间苯二酚的烷基化

  摘要：

  DOI：

  10.1039/jr9320001079

文献信息

• SUBSTITUTED TARAXASTANES USEFUL FOR TREATING VIRAL INFECTIONS
  申请人：BRADBURY Barton James

  公开号：US20070197646A1

  公开（公告）日：2007-08-23

  Substituted taraxastanes useful for treating viral infections, are provided herein. Thus, in a first aspect, the invention provides compounds of Formula I and the pharmaceutically acceptable salts thereof, wherein the variables R 1 , R 2 , and X are defined herein. The compounds described herein are thought to act by inhibiting retroviral maturation, including maturation of encapsulated retroviruses viruses, such as the HIV viruses, HIV-1 and HIV-2. Pharmaceutical compositions comprising such compounds of Formula I are included herein. Methods of using such compounds to treat human patients infected with an HIV virus and reducing the mortality of AIDS are also provided herein.

  提供了用于治疗病毒感染的替代性taraxastanes。因此，在第一个方面，本发明提供了公式I的化合物及其药用盐，其中变量R1、R2和X在此定义。这里描述的化合物被认为通过抑制逆转录病毒成熟来发挥作用，包括包膜逆转录病毒病毒的成熟，如HIV病毒、HIV-1和HIV-2。本文还包括包含公式I化合物的药物组合物。提供了使用这种化合物治疗感染HIV病毒的人类患者并减少艾滋病死亡率的方法。
• SmCp^R₂-mediated cross-coupling of allyl and propargyl ethers with ketoesters and a telescoped approach to complex cycloheptanols
  作者：Mateusz P. Plesniak、Xavier Just-Baringo、Fabrizio Ortu、David P. Mills、David J. Procter

  DOI：10.1039/c6cc07318b

  日期：——

  A highly regio- and diastereoselective cross-coupling of allyl/propargyl ethers and [small beta]-ketoesters, mediated by SmCpR2 reagents, delivers decorated [small delta]-lactones. Screening of the Cp ligands on Sm(II) was employed to achieve high...

  由SmCpR2试剂介导的烯丙基/炔丙基醚与小β-酮酸酯的高度区域选择性和非对映选择性交叉偶联可产生修饰的小δ-内酯。通过筛选Sm（II）上的Cp配体来实现高...
• Novel peptides as NS3-serine protease inhibitors of hepatitis C virus
  申请人：Saksena K. Anil

  公开号：US20070032433A1

  公开（公告）日：2007-02-08

  The present invention discloses novel compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such compounds as well as methods of using them to treat disorders associated with the HCV protease.

  本发明揭示了具有HCV蛋白酶抑制活性的新化合物，以及制备这些化合物的方法。在另一种实施方式中，本发明揭示了包含这些化合物的药物组合物，以及使用它们治疗与HCV蛋白酶相关的疾病的方法。
• Inhibition of Hiv-1 Replication by Disruption of the Processing of the Viral Capsid-Spacer Peptide 1 Protein
  申请人：Salzwedel Karl

  公开号：US20080200550A1

  公开（公告）日：2008-08-21

  Inhibition of HIV-1 replication by disrupting the processing of the viral Gag capsid (CA) protein (p24) from the CA-spacer peptide 1 (SP1) protein precursor (p25) is disclosed. Amino acid sequences containing a mutation in the Gag p25 protein, with the mutation resulting in a decrease in the inhibition of processing of p25 to p24 by dimethylsuccinyl betulinic acid or dimethylsuccinyl betulin, polynucleotides encoding such mutated sequences and antibodies that selectively bind such mutated sequences are also included. Methods of inhibiting, inhibitory compounds and methods of discovering inhibitory compounds that target proteolytic processing of the HIV Gag protein are included. In one embodiment, such compounds inhibit the interaction of the HIV protease enzyme with Gag by binding to Gag rather than to the protease enzyme. In another embodiment, viruses or recombinant proteins that contain mutations in the region of the Gag proteolytic cleavage site can be used in screening assays to identify compounds that target proteolytic processing.

  抑制HIV-1繁殖的方法是通过破坏病毒Gag外壳蛋白（CA）蛋白（p24）从CA-间隔肽1（SP1）蛋白前体（p25）的处理来实现的。包括含有Gag p25蛋白中突变的氨基酸序列，该突变导致二甲基琥珀酰基齐墩果酸或二甲基琥珀酰基齐墩的p25到p24处理的抑制减少，编码这种突变序列的多核苷酸和选择性结合这种突变序列的抗体。还包括抑制方法、抑制化合物和发现靶向HIV Gag蛋白的蛋白酶解处理的抑制化合物的方法。在其中一种实施例中，这些化合物通过与Gag结合而不是与蛋白酶酶结合来抑制HIV蛋白酶酶与Gag的相互作用。在另一种实施例中，包含在Gag蛋白酶解割位区域中的突变病毒或重组蛋白可以用于筛选测定，以识别靶向蛋白酶解处理的化合物。
• Inhibition of HIV-1 Replication by Disruption of the Processing of the Viral Capsid-Spacer Peptide 1 Protein
  申请人：SALZWEDEL Karl

  公开号：US20080233559A1

  公开（公告）日：2008-09-25

  Inhibition of HIV-1 replication by disrupting the processing of the viral Gag capsid (CA) protein (p24) from the CA-spacer peptide 1 (SP1) protein precursor (p25) is disclosed. Amino acid sequences containing a mutation in the Gag p25 protein, with the mutation resulting in a decrease in the inhibition of processing of p25 to p24 by dimethylsuccinyl betulinic acid or dimethylsuccinyl betulin, polynucleotides encoding such mutated sequences and antibodies that selectively bind such mutated sequences are also included. Methods of inhibiting, inhibitory compounds and methods of discovering inhibitory compounds that target proteolytic processing of the HIV Gag protein are included. In one embodiment, such compounds inhibit the interaction of the HIV protease enzyme with Gag by binding to Gag rather than to the protease enzyme. In another embodiment, viruses or recombinant proteins that contain mutations in the region of the Gag proteolytic cleavage site can be used in screening assays to identify compounds that target proteolytic processing.

  本文揭示了通过破坏病毒Gag外壳蛋白（CA）从CA-spacer肽1（SP1）蛋白前体（p25）中的处理来抑制HIV-1复制的方法。包括含有Gag p25蛋白中突变的氨基酸序列，该突变导致二甲基琥珀酰基白桦酸或二甲基琥珀酰基白桦醇对p25到p24的处理抑制减少，编码这种突变序列的多核苷酸以及选择性结合这种突变序列的抗体。还包括抑制，抑制性化合物和发现靶向HIV Gag蛋白的蛋白酶加工的抑制性化合物的方法。在一种实施方式中，这些化合物通过结合Gag而不是蛋白酶酶来抑制HIV蛋白酶酶与Gag的相互作用。在另一种实施方式中，包含在Gag蛋白酶剪切位点区域中的突变病毒或重组蛋白可以用于筛选测定，以识别靶向蛋白酶加工的化合物。