(2S)-2-amino-3-methyl-1-[2-(3-phenylpropanoyl)pyrrolidin-1-yl]butan-1-one

• 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
• 英文名称: (2S)-2-amino-3-methyl-1-[2-(3-phenylpropanoyl)pyrrolidin-1-yl]butan-1-one
• 化学式: C₁₈H₂₆N₂O₂
• 分子量: 302.4
• InChiKey: OHFITWKWXNAKRX-LWKPJOBUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  63.4
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• A SMALL MOLECULE INHIBITOR OF MYD88 FOR THERAPEUTIC TREATMENT AGAINST ALPHAVIRUS AND STAPHYLOCOCCAL ENTEROTOXIN INFECTIONS AND TOXIN EXPOSURE
  申请人：Government of the United States, as represented by the Secretary of the Army, on behalf of Army Medi- cal Research Institute of Infectious Diseases

  公开号：EP3154938A2

  公开（公告）日：2017-04-19
• Small Molecule Inhibitor of MYD88 For Therapeutic Treatment against Alphavirus And Staphylococcal Enterotoxin Infections And Toxin Exposure
  申请人：The Government of the United States, As Represented By The Secretary of the Army

  公开号：US20170079952A1

  公开（公告）日：2017-03-23

  A synthetic molecule 4210 and a therapeutic use of a synthetic small molecule 4210 for treating viral infections, especially encephalitic alphavirus infections. The compound 4210 showed antiviral efficacy by up regulation type 1 interferon (IFN) specifically IFN-β. The compound 4210 was designed and synthesized by a structure-based approach targeting intracellular adaptor protein, myeloid differentiation primary response protein 88 (MyD88). Besides having an antiviral effect, the compound 4210 also demonstrated therapeutic efficacy for treating inflammatory syndrome associated with Gram positive bacterial infections such as exposure to staphylococcal enterotoxin B (SEB) induced toxic shock syndrome (TSS) in mice and can potentially be used in clinical set up for treating sepsis and septic shock. In addition, the application of molecule 4210 can treat sepsis and septic shock triggered by exposure to other biological agents such as Francisella tularensis or Burkholderia mallei known to cause tularemia and glanders, respectively. The molecule 4210 has the potential for a broad-spectrum therapeutic use.
• US9833437B2
  申请人：——

  公开号：US9833437B2

  公开（公告）日：2017-12-05
• [EN] A SMALL MOLECULE INHIBITOR OF MYD88 FOR THERAPEUTIC TREATMENT AGAINST ALPHAVIRUS AND STAPHYLOCOCCAL ENTEROTOXIN INFECTIONS AND TOXIN EXPOSURE<br/>[FR] INHIBITEUR À PETITE MOLÉCULE DE MYD88 POUR LE TRAITEMENT THÉRAPAPEUTIQUE CONTRE DES INFECTIONS PAR ALPHAVIRUS ET ENTÉROTOXINE STAPHYLOCOCCIQUE ET EXPOSITION AUX TOXINES
  申请人：US GOVERNMENT

  公开号：WO2015191111A2

  公开（公告）日：2015-12-17

  A synthetic molecule 4210 and a therapeutic use of a synthetic small molecule 4210 for treating viral infections, especially encephalitic alphavirus infections. The compound 4210 showed antiviral efficacy by up regulation type 1 interferon (IFN) specifically IFN-β. The compound 4210 was designed and synthesized by a structure- based approach targeting intracellular adaptor protein, myeloid differentiation primary response protein 88 (MyD88). Besides having an antiviral effect, the compound 4210 also demonstrated therapeutic efficacy for treating inflammatory syndrome associated with Gram positive bacterial infections such as exposure to staphylococcal enterotoxin B (SEB) induced toxic shock syndrome (TSS) in mice and can potentially be used in clinical set up for treating sepsis and septic shock. In addition, the application of molecule 4210 can treat sepsis and septic shock triggered by exposure to other biological agents such as Francisella tularensis or Burkholderia mallei known to cause tularemia and glanders, respectively. The molecule 4210 has the potential for a broad-spectrum therapeutic use.