(3S)-5-[(4-fluorophenyl)methylsulfanyl]-4-oxo-3-[[5-(2-phenylethynyl)pyridine-3-carbonyl]amino]pentanoic acid

• 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: (3S)-5-[(4-fluorophenyl)methylsulfanyl]-4-oxo-3-[[5-(2-phenylethynyl)pyridine-3-carbonyl]amino]pentanoic acid
• 化学式: C₂₆H₂₁FN₂O₄S
• 分子量: 476.5
• InChiKey: WZTNZQQQLMAABZ-QHCPKHFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• [EN] NICOTINYL ASPARTYL KETONES AS INHIBITORS OF CASPASE-3<br/>[FR] UTILISATION DE COMME INHIBITEURS DE LA CASPASE-3 NICOTINYL ASPARTYL KETONES AS INHIBITORS OF CASPASE-3
  申请人：MERCK FROSST CANADA INC

  公开号：WO2001027085A1

  公开（公告）日：2001-04-19

  Caspase-3 inhibiting compounds of formula (I): as well as pharmaceutical compositions and methods of treatment are disclosed. The compounds are useful for treating caspase-3 mediated diseases and conditions, among which are cardiac or cerebral ischemia or reperfusion injury, type I diabetes, immune deficiency syndrome, includings AIDS, cerebral and spinal cord trauma injury, organ damage during transplantation, alopecia, aging, Parkinson's disease, Alzheimer's disease, Down's syndrome, spinal muscular atrophy, multiple sclerosis and neurodegenerative disorders.