2-(3,4-dichlorophenyl)-2-methyl-5-methylsulfanyl-3H-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 英文名称: 2-(3,4-dichlorophenyl)-2-methyl-5-methylsulfanyl-3H-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
• 化学式: C₁₄H₁₁Cl₂N₅S
• 分子量: 352.2
• InChiKey: ZWSPXHHQZDFYSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  89.1
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] ACTIVATORS OF PROTEASOMAL DEGRADATION AND USES THEREOF<br/>[FR] ACTIVATEURS DE LA DÉGRADATION PROTÉASOMIQUE ET LEURS UTILISATIONS
  申请人：HARVARD COLLEGE

  公开号：WO2012075393A2

  公开（公告）日：2012-06-07

  The present invention provides compounds that induce gate opening of the proteasome, thereby activating the proteasomal degradation of proteins. Such compounds may have beneficial therapeutic effects. Compounds and compositions described herein may be used to treat disorders associated with unfolded, misfolded, or aggregated proteins such as sickle cell anemia, thalassemia, Alzheimer's disease, Parkinson's disease, cystic fibrosis, Huntington's disease, amyotrophic lateral sclerosis (i.e., Lou Gehrig's disease), and Creutzfeld-Jakob disease. The compounds and compositions may also be used to kill or inhibit the growth of a microorganism. The present invention also provides methods for identifying compounds that activate the proteasomal degradation of proteins. In particular, the present invention provides in silico methods for identifying compounds that activate the proteasomal degradation of proteins.