methyl N-[(E)-[1,2-dihydropyridin-2-yl(phenyl)methylidene]amino]carbamodithioate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: methyl N-[(E)-[1,2-dihydropyridin-2-yl(phenyl)methylidene]amino]carbamodithioate
• 化学式: C₁₄H₁₅N₃S₂
• 分子量: 289.4
• InChiKey: UPUBXMHBWQPLAI-DTQAZKPQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  93.8
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• [EN] ALLOSTERIC REVERSIBLE PAN-CASPASE INHIBITORS<br/>[FR] INHIBITEURS ALLOSTÉRIQUES RÉVERSIBLES PAN-CASPASE
  申请人：SLOAN KETTERING INST CANCER

  公开号：WO2012134822A1

  公开（公告）日：2012-10-04

  The invention provides a method for the use of a group of compounds as allosteric reversible caspase inhibitors. This invention is in the field of medicinal chemistry and relates to novel compounds, and pharmaceutical compositions and methods of use thereof that inhibit caspases and/or tumor necrosis factor alpha (TNFa) that mediate cell apoptosis and inflammation and inhibit pathophysiologic effects of excessive amounts of TNFa. The invention also relates to methods of using the compounds and pharmaceutical compositions of this invention to treat diseases where caspase and/or TNFa activity is implicated. The present invention also relates to methods for the use of allosteric, reversible pan-caspase inhibitors with pyridinyl, copper-containing molecules with a multi-ring structure.