6-Oxo-4-undecendisaeure-dimethylester | 68453-95-2

• 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: 6-Oxo-4-undecendisaeure-dimethylester
• 英文别名: dimethyl (E)-6-oxoundec-4-enedioate
• CAS: 68453-95-2
• 化学式: C₁₃H₂₀O₅
• 分子量: 256.299
• InChiKey: RIUBRFMOCPJYOQ-XVNBXDOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  18
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-Oxo-4-undecendisaeure-dimethylester 在 potassium tert-butylate 作用下， 以 叔丁醇 为溶剂， 生成 4-Dimethoxymethyl-6,6-dimethoxy-undecanedioic acid dimethyl ester
  参考文献：
  名称：

  Ansamycine, 5. Mitt., Chemie der Metacycloprodigiosine

  摘要：

  DOI：

  10.1007/bf00912773
• 作为产物：
  描述：

  6-oxo-undecanedioic acid dimethyl ester 在 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 乙酸甲酯 、 水 为溶剂， 生成 6-Oxo-4-undecendisaeure-dimethylester
  参考文献：
  名称：

  Ansamycine, 5. Mitt., Chemie der Metacycloprodigiosine

  摘要：

  DOI：

  10.1007/bf00912773

文献信息

• Synthesis and Glutathione <i>S</i>-Transferase Structure−Affinity Relationships of Nonpeptide and Peptidase-Stable Glutathione Analogues
  作者：Philippe Klotz、Amal Slaoui-Hasnaoui、Jean-Louis Banères、Jean-Frédéric Duckert、Jean-Claude Rossi、Abdelali Kerbal

  DOI：10.1021/jm970518m

  日期：1998.6.1

  A series of nonpeptidic glutathione analogues where the peptide bonds were replaced by simple carbon-carbon bonds or isosteric E double bonds were prepared. The optimal length for the two alkyl chains on either side of the mercaptomethyl group was evaluated using structure-affinity relationships. Affinities of the analogues 14a-f, 23, and 25 were evaluated for a recombinant GST enzyme using a new affinity chromatography method previously developed in our laboratory. Analysis of these analogues gives an additional understanding for GST affinity requirements: (a) the carbon skeleton must conserve that of glutathione since analogue 14a showed the best affinity (IC50 = 5.2 mu M); (b) the GST G site is not able to accommodate a chain length elongation of one methylene group (no affinity for analogues 14c,f); (c) a one-methylene group chain length reduction is tolerated, much more for the "Glu side" (14d, IC50 = 10.1 mu M) than for the "Gly side" (14b, IC50 = 1800 mu M); (d) the mercaptomethyl group must remain at position 5 as shown from the null affinity of the 6-mercaptomethyl analogue 14e; (e) the additional, peptide isosteric E double bond (25) or hydroxyl derivative (23) in 14e did not help to retrieve affinity, This work reveals useful. information for the design of new selective nonpeptidic and peptidase-stable glutathione analogues.
• Ansamycine, 5. Mitt., Chemie der Metacycloprodigiosine
  作者：Heinz Berner、Gerhard Schulz、Gernot Fischer、Hellmuth Reinshagen

  DOI：10.1007/bf00912773

  日期：——