1,1-Dimethylethyl (3S)-3-[(ethylamino)carbonyl]-3-(phenylmethyl)-1-piperidinecarboxylate | 170838-89-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1,1-Dimethylethyl (3S)-3-[(ethylamino)carbonyl]-3-(phenylmethyl)-1-piperidinecarboxylate
• 英文别名: tert-butyl (3S)-3-benzyl-3-(ethylcarbamoyl)piperidine-1-carboxylate
• CAS: 170838-89-8
• 化学式: C₂₀H₃₀N₂O₃
• 分子量: 346.5
• InChiKey: ZFXMFSMWYADORF-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• HIGH THROUGHPUT PROTEIN INTERACTION ASSAY
  申请人：Caulfield Michael J.

  公开号：US20110014226A1

  公开（公告）日：2011-01-20

  A method to identify small molecules useful as therapeutics and/or vaccines to prevent, alleviate or ameliorate a pathogenic infection or an autoimmune disorder. The method can be used to screen small molecule test compounds for the ability to disrupt particular antigen-antibody interactions of interest. In one embodiment, the antigen is a pathogen-derived antigen and the antibody decreases or inhibits virulence of the pathogen when bound to the antigen (e.g., a neutralizing antibody, antibody with serum bactericidal activity, etc.). In another embodiment, the antigen is a self-antigen (autoantigen) and the antibody is an autoantibody that is known to be associated with a pathological condition (e.g., autoimmune disorder). Compounds that bind to the antigen or antibody disrupt binding can be used as therapeutics to decrease or inhibit the autoimmune disorder.
• [EN] A HIGH THROUGHPUT PROTEIN INTERACTION ASSAY<br/>[FR] PROCÉDÉ TRÈS EFFICACE SERVANT À DÉTERMINER L'INTERACTION DE PROTÉINES
  申请人：MERCK & CO INC

  公开号：WO2009117409A2

  公开（公告）日：2009-09-24

  A method to identify small molecules useful as therapeutics and/or vaccines to prevent, alleviate or ameliorate a pathogenic infection or an autoimmune disorder. The method can be used to screen small molecule test compounds for the ability to disrupt particular antigen- antibody interactions of interest. In one embodiment, the antigen is a pathogen-derived antigen and the antibody decreases or inhibits virulence of the pathogen when bound to the antigen (e.g., a neutralizing antibody, antibody with serum bactericidal activity, etc.). In another embodiment, the antigen is a self-antigen (autoantigen) and the antibody is an autoantibody that is known to be associated with a pathological condition (e.g., autoimmune disorder). Compounds that bind to the antigen or antibody disrupt binding can be used as therapeutics to decrease or inhibit the autoimmune disorder.