(3S)-3-{3-[(1S)-1-(naphthalene-2-carbonylamino)-2-methyl-propyl]-5-phenoxymethyl-4,5-dihydro-isoxazole-5-carbonylamino}-4-keto-5-(2-naphthyloxy)-pentanoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (3S)-3-{3-[(1S)-1-(naphthalene-2-carbonylamino)-2-methyl-propyl]-5-phenoxymethyl-4,5-dihydro-isoxazole-5-carbonylamino}-4-keto-5-(2-naphthyloxy)-pentanoic acid
• 英文别名: (3S)-3-[[3-[(1S)-2-methyl-1-(naphthalene-2-carbonylamino)propyl]-5-(phenoxymethyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-naphthalen-2-yloxy-4-oxopentanoic acid
• 化学式: C₄₁H₃₉N₃O₈
• 分子量: 701.776
• InChiKey: BFAKORDSYJJDDO-SNXXJJMMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  52
• 可旋转键数：
  15
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  153
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• CASPASE INHIBITOR
  申请人：LG Chem Investment, Ltd.

  公开号：EP1212309B1

  公开（公告）日：2004-08-18
• US6747050B1
  申请人：——

  公开号：US6747050B1

  公开（公告）日：2004-06-08
• [EN] CASPASE INHIBITOR<br/>[FR] INHIBITEUR DE CASPASE
  申请人：LG CHEMICAL LTD

  公开号：WO2001021599A1

  公开（公告）日：2001-03-29

  The present invention relates to an isoxazoline derivative of formula (I), the pharmaceutically acceptable salts, esters and stereochemically isomeric forms thereof, and the use of the derivative in inhibiting the activity of caspases. The derivative according to the present invention can be effectively used in treating diseases due to caspases, such as, for example the disease in which cells are abnormally died, dementia, cerebral stroke, AIDS, diabetes, gastric ulcer, hepatic injure by hepatitis, sepsis, organ transplantation rejection reaction and anti-inflammation.