(S)-1-(2-甲氧基-2-氧代乙酰基)哌啶-2-羧酸乙酯 | 152754-46-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: (S)-1-(2-甲氧基-2-氧代乙酰基)哌啶-2-羧酸乙酯
• 英文名称: ethyl (2S)-1-(1,2-dioxo-2-methoxyethyl)-2-piperidinecarboxylate
• 英文别名: (S)-Ethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate；ethyl (2S)-1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate
• CAS: 152754-46-6
• 化学式: C₁₁H₁₇NO₅
• 分子量: 243.26
• InChiKey: OXQRLSIUMBHZJR-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  72.9
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  (S)-1-(2-甲氧基-2-氧代乙酰基)哌啶-2-羧酸乙酯 在 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 为溶剂， 反应 9.5h， 生成 (S)-1-(3,3-二甲基-2-氧戊烷酰基)哌啶-2-羧酸
  参考文献：
  名称：

  Design, synthesis, and kinetic evaluation of high-affinity FKBP ligands and the X-ray crystal structures of their complexes with FKBP12

  摘要：

  The design and synthesis of high-affinity FKBP12 ligands is described. These compounds potently inhibit the cis-trans-peptidylprolyl isomerase (rotamase) activity catalyzed by FKBP12 with inhibition constants (K(i,app)) as low as 1 nM, yet they possess remarkable structural simplicity relative to FK506 and rapamycin, from which they are conceptually derived. The atomic structures of three FKBP12-ligand complexes and of one unbound ligand were determined by X-ray crystallography and are compared to the FKBP12-FK506 and FKBP12-rapamycin complexes.

  DOI：

  10.1021/ja00075a008
• 作为产物：
  描述：

  甲基戊酰氯 、 (s)-哌啶-2-羧酸乙酯盐酸盐 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以69%的产率得到(S)-1-(2-甲氧基-2-氧代乙酰基)哌啶-2-羧酸乙酯
  参考文献：
  名称：

  [EN] PROTEASE INHIBITORS
  [FR] INHIBITEURS DES PROTÉASES

  摘要：

  公开号：

  WO2010077317A3

文献信息

• PROTEASE INHIBITORS
  申请人：Mutz Mitchell W.

  公开号：US20120041019A1

  公开（公告）日：2012-02-16

  Compounds useful as protease inhibitors are provided, as are methods of use and preparation of such compounds and compositions containing such compounds. In one embodiment, the compounds are useful for inhibiting HIV protease enzymes, and are therefore useful in slowing the proliferation of HIV.

  本发明提供了一些有用的蛋白酶抑制剂化合物，以及使用和制备这些化合物的方法和含有这些化合物的组合物。在一种实施方式中，这些化合物可用于抑制HIV蛋白酶酶，因此可用于减缓HIV的增殖。
• Synthetic Multimerizing Agents
  申请人：Holt Dennis A.

  公开号：US20120130076A1

  公开（公告）日：2012-05-24

  New compounds are disclosed for multimerizing immunophilins and proteins containing immunophilin or immunophilin-related domains. The compounds are of the formula M-L-Q where M is a synthetic ligand for an FKBP protein.

  新化合物被披露用于多聚免疫蛋白和含有免疫蛋白或免疫蛋白相关域的蛋白质。这些化合物的化学式为M-L-Q，其中M是FKBP蛋白的合成配体。
• US8436183B2
  申请人：——

  公开号：US8436183B2

  公开（公告）日：2013-05-07
• [EN] ANTIMICROBIALS<br/>[FR] AGENTS ANTIMICROBIENS
  申请人：AMPLYX PHARMACEUTICALS INC

  公开号：WO2010065110A2

  公开（公告）日：2010-06-10

  Compounds useful as antimicrobials are provided, as are methods of use and preparation of such compounds and compositions containing such compounds. In one embodiment, the compounds are derivatives having a carbapenem core, and are useful for treating a microorganism infection.
• Design, synthesis, and kinetic evaluation of high-affinity FKBP ligands and the X-ray crystal structures of their complexes with FKBP12
  作者：Dennis A. Holt、Juan I. Luengo、Dennis S. Yamashita、Hye Ja Oh、Arda L. Konialian、Hwa Kwo Yen、Leonard W. Rozamus、Martin Brandt、Mary J. Bossard、Mark A. Levy、Drake S. Eggleston、Jun Liang、L. Wayne Schultz、Thomas J. Stout、Jon Clardy

  DOI：10.1021/ja00075a008

  日期：1993.11.1

  The design and synthesis of high-affinity FKBP12 ligands is described. These compounds potently inhibit the cis-trans-peptidylprolyl isomerase (rotamase) activity catalyzed by FKBP12 with inhibition constants (K(i,app)) as low as 1 nM, yet they possess remarkable structural simplicity relative to FK506 and rapamycin, from which they are conceptually derived. The atomic structures of three FKBP12-ligand complexes and of one unbound ligand were determined by X-ray crystallography and are compared to the FKBP12-FK506 and FKBP12-rapamycin complexes.