Methyl-(3S)-5-(2,6-difluorophenoxy)-3-((((4-methoxy-4-oxo-butanoyl)-(3-methylbutanoyl-(quinoline-2-carbonylamino)amino)amino)-(3-methylbutanoyl)amino)-propanoyl-amino)-4-oxo-pentanoate | 1094569-02-4

• 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: Methyl-(3S)-5-(2,6-difluorophenoxy)-3-((((4-methoxy-4-oxo-butanoyl)-(3-methylbutanoyl-(quinoline-2-carbonylamino)amino)amino)-(3-methylbutanoyl)amino)-propanoyl-amino)-4-oxo-pentanoate
• 英文别名: methyl 5-(2,6-difluorophenoxy)-3-[[(2S)-2-[[(2S)-2-[[(2S)-4-methoxy-2-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-oxopentanoate
• CAS: 1094569-02-4
• 化学式: C₄₀H₄₈F₂N₆O₁₁
• 分子量: 826.8
• InChiKey: UKOOXNFTVLKWED-HRNCDAKQSA-N

物化性质

• 沸点：
  1108.5±65.0 °C(Predicted)
• 密度：
  1.283±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  59
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  237
• 氢给体数：
  5
• 氢受体数：
  14

文献信息

• CASPASE INHIBITORS FOR TREATING PATHOLOGIES RESULTING FROM ISCHEMIA
  申请人：CHIESI FARMACEUTICI S.p.A.

  公开号：EP2173384A2

  公开（公告）日：2010-04-14
• USE OF PEPTIDE DERIVATIVES FOR TREATING PATHOLOGIES RESULTING FROM ISCHEMIA
  申请人：Casimir Richard

  公开号：US20100184703A1

  公开（公告）日：2010-07-22

  The inventors have studied the kinetic and hierarchy of activation of apoptogenic caspases during myocardial ischemia and have found that caspase 2 plays a major role during the cardiac pathology by a very fast activation after an ischemic episode. Experiments were carried out on animal models of transitory or permanent myocardial ischemia. It was then observed that electrophysiological remodeling and post-ischemic fibrosis were prevented by using caspase-2 specific inhibitors. The invention is then based on the demonstration that caspase-2 and its activation represents an early and transitory step of the cardiac apoptotic mechanisms resulting from a myocardial ischemic and involved in the development of hypertrophy and cardiac insufficiency. The invention thus relates to a method of treatment of cardiovascular pathologies resulting from ischemia by using certain caspase-2 specific inhibitors.
• NOVEL CASPASE-2 INHIBITORS
  申请人：CHAUVIER David

  公开号：US20120196892A1

  公开（公告）日：2012-08-02

  Novel compounds of formula (I) and slats thereof and pharmaceutical compositions which contain such a compound or salt are useful for inhibiting pro-apoptotic caspase-2 and for preventing and/or treating diseases and injuries where caspase-2 activity is implicated, in particular neonatal brain ischemia.
• [EN] USE OF PEPTIDE DERIVATIVES FOR TREATING PATHOLOGIES RESULTING FROM ISCHEMIA<br/>[FR] UTILISATION DE DÉRIVÉS PEPTIDIQUES POUR TRAITER DES PATHOLOGIES CONSÉCUTIVES À L'ISCHÉMIE
  申请人：THERAPTOSIS SA

  公开号：WO2009001322A2

  公开（公告）日：2008-12-31

  [EN] The invention relates to use the of a caspase-2 inhibitor for making a drug for treating cardiovascular pathologies resulting from ischemic situations.
  [FR] L'invention concerne l'utilisation d'un inhibiteur de la caspase-2 pour fabriquer un médicament destiné à traiter des pathologies cardiovasculaires consécutives à des situations ischémiques.