(S,S)-3-{2-[3-(3-ethylureido)-2-oxo-2H-pyridin-1-yl]butyrylamino}-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid | 800408-36-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: (S,S)-3-{2-[3-(3-ethylureido)-2-oxo-2H-pyridin-1-yl]butyrylamino}-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
• 英文别名: (3S)-3-[[(2S)-2-[3-(ethylcarbamoylamino)-2-oxopyridin-1-yl]butanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
• CAS: 800408-36-0
• 化学式: C₂₃H₂₄F₄N₄O₇
• 分子量: 544.46
• InChiKey: TYVIXBHDXVZZBB-GJZGRUSLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  38
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  154
• 氢给体数：
  4
• 氢受体数：
  11

文献信息

• Caspase inhibitors and uses thereof
  申请人：——

  公开号：US20040242494A1

  公开（公告）日：2004-12-02

  The present invention provides a compound of formula I: 1 wherein R 1 , R 2 , R 3 , R 4 , and R 5 are as defined herein. The present invention also provides pharmaceutical compositions and methods using such compositions for treating a caspase-mediated diseases and processes for preparing the compounds of the invention.

  本发明提供了一种化合物，其化学式为： 1 其中R 1 ，R 2 ，R 3 ，R 4 和R 5 如本文所定义。本发明还提供了药物组合物和使用这种组合物治疗半胱天冬酶介导的疾病的方法，以及制备本发明化合物的方法。
• CASPASE INHIBITORS AND USES THEREOF
  申请人：Brenchley Guy

  公开号：US20090093416A1

  公开（公告）日：2009-04-09

  The present invention provides a compound of formula I: wherein R 1 , R 2 , R 3 , R 4 , and R 5 are as defined herein. The present invention also provides pharmaceutical compositions and methods using such compositions for treating a caspase-mediated diseases and processes for preparing the compounds of the invention.

  本发明提供了一种I式化合物，其中R1、R2、R3、R4和R5如本文所定义。本发明还提供了制备该发明化合物的方法以及使用该化合物治疗半胱天冬酶介导的疾病的制药组合物和方法。
• 3-[2-(3-Amino-2-oxo-2H-pyridin-1-yl)-acetylamino]-4-oxo-pentanoic acid derivatives and their use as caspase inhibitors
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP2412707A2

  公开（公告）日：2012-02-01

  The present invention provides a compound of formula I: wherein R1, R2, R3, R4, and R5 are as defined herein. The present invention also provides pharmaceutical compositions and methods using such compositions for treating a caspase-mediated diseases and processes for preparing the compounds of the invention.

  本发明提供了一种式 I 的化合物： 其中 R1、R2、R3、R4 和 R5 如本文所定义。本发明还提供了治疗卡巴酶介导的疾病的药物组合物和使用这种组合物的方法，以及制备本发明化合物的工艺。
• US7960415B2
  申请人：——

  公开号：US7960415B2

  公开（公告）日：2011-06-14
• [EN] CASPASE INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE CASPASE ET UTILISATIONS
  申请人：VERTEX PHARMA

  公开号：WO2004106304A2

  公开（公告）日：2004-12-09

  The present invention provides a compound of formula (I), wherein R1, R6C(O)-, HC(O)-, R6SO2-, R6OC(O)-, (R6)2NC(O)-, (R6) (H) NC (O)-, R6C (O) C (O) -, R6-, (R6) 2NC (O) C (O)-, R6 (H) NC (O) C (O)-, or R6OC (O) C (O)-; R2 is hydrogen, CF3, -halo, -OR7, -NO2, -OCF3, -CN, or R8; R3 is hydrogen or (C1-C4) -aliphatic-; R4 is -COOH or -COOR8; R5 is -CH2F or -CH2O-2, 3, 5, 6-tetrafluorophenyl. The present invention also provides pharmaceutical compositions and methods using such compositions for treating a caspase-mediated diseases and processes for preparing the compounds of the invention.