1-(叔丁氧基羰基)-2-甲基-3-氧代哌啶-2-羧酸 | 122019-53-8

• 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: 1-(叔丁氧基羰基)-2-甲基-3-氧代哌啶-2-羧酸
• 中文别名: 1-Boc-3-氧代哌啶-2-甲酸甲酯
• 英文名称: 3-oxo-1,2-piperidinedicarboxylic acid 1-(1,1-dimethylethyl) 2-methyl ester
• 英文别名: 1-tert-Butyl 2-methyl 3-oxopiperidine-1,2-dicarboxylate；1-O-tert-butyl 2-O-methyl 3-oxopiperidine-1,2-dicarboxylate
• CAS: 122019-53-8
• 化学式: C₁₂H₁₉NO₅
• 分子量: 257.287
• InChiKey: BEKOYYXLZWEFQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  1-(叔丁氧基羰基)-2-甲基-3-氧代哌啶-2-羧酸 在 4-二甲氨基吡啶 、 lithium aluminium tetrahydride 、 bakers' yeast 、 水 、 三乙胺 、 蔗糖 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 27.0h， 生成 (2S,3S)-2-(tert-Butyl-diphenyl-silanyloxymethyl)-3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Knight, David W.; Lewis, Neil; Share, Andrew C., Journal of the Chemical Society. Perkin transactions I, 1998, # 22, p. 3673 - 3683

  摘要：

  DOI：
• 作为产物：
  描述：

  碳酸二叔丁酯 在 草酰氯 、 碳酸氢钠 、 二甲基亚砜 、 sodium chloride 作用下， 以 二氯甲烷 、 氯仿 、 水 为溶剂， 反应 6.25h， 生成 1-(叔丁氧基羰基)-2-甲基-3-氧代哌啶-2-羧酸
  参考文献：
  名称：

  Evaluation and synthesis of amino-hydroxy isoxazoles and pyrazoles as potential glycine agonists

  摘要：

  Except for structurally similar small amino acids, such as alanine, beta-alanine, and serine, compounds acting as glycine-receptor agonists are an unknown class of pharmacological agents. To investigate the potential of small, substituted heterocycles to act as glycine agonists, we have evaluated the similarities between glycine and a series of hydroxy- and amino-substituted pyrazoles and isoxazoles through complementary molecular modeling techniques. Using a "scorecard approach" to determine the overall similarity of projected agonist structures to glycine, we prioritized synthesis and subsequently prepared several novel derivatives. The biological activity of these compounds was compared to that of glycine by using a [3H]strychnine-mediated glycine receptor binding assay. Despite the close similarity in the calculated parameters when compared to glycine, no significant receptor-binding activity was observed for the targeted analogues. These results illustrate the structurally exacting nature of the glycine receptor.

  DOI：

  10.1021/jm00129a016

文献信息

• Calcilytic Compounds
  申请人：Ku Thomas Wen Fu

  公开号：US20090137557A1

  公开（公告）日：2009-05-28

  Novel calcilytic compounds, pharmaceutical compositions, methods of synthesis and methods of using them are provided.

  本发明提供了新型的钙离子受体拮抗剂化合物、制药组合物、合成方法和使用方法。
• Aromatic acetylene or aromatic ethylene compound, intermediate, preparation method, pharmaceutical composition and use thereof
  申请人：GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

  公开号：US11078192B2

  公开（公告）日：2021-08-03

  Disclosed are an aromatic acetylene or aromatic ethylene compound, an intermediate, a preparation method, a pharmaceutical composition and a use thereof. The aromatic acetylene or aromatic ethylene compound has a significant inhibitory effect on PD-1 and PD-L1, and can effectively relieve or treat cancers and other related diseases.

  本发明公开了一种芳香族乙炔或芳香族乙烯化合物、一种中间体、一种制备方法、一种药物组合物及其用途。芳香炔或芳香乙烯化合物对 PD-1 和 PD-L1 有显著的抑制作用，能有效缓解或治疗癌症及其他相关疾病。
• EP3483142
  申请人：——

  公开号：——

  公开（公告）日：——
• New members of the chiral pool: β-Hydroxypiperidine carboxylates from Baker's yeast reductions of the corresponding keto-esters
  作者：David W. Knight、Neil Lewis、Andrew C. Share、David Haigh

  DOI：10.1016/s0957-4166(00)80164-0

  日期：1993.4

  Baker's yeast reduction of the keto-piperidinecarboxylates 2 and 6 leads to the corresponding hydroxy-esters 3 and 7a in good chemical yields and with >99% d.e. and >93% e.e. in both cases.
• FLUORINE SUBSTITUTED CYCLIC AMINE COMPOUNDS AND PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF
  申请人：Shanghai Institute of Materia Medica, Chinese Academy of Sciences

  公开号：EP2913324B1

  公开（公告）日：2017-12-20