(S)-N-cyclopropyl-3-((R)-3-(cyclopropylmethylsulfonyl)-2-(2,2-difluoro-2-(4-fluorophenoxy)ethylamino)propanamido)-2-oxopentanamide | 1227086-98-7

• 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: (S)-N-cyclopropyl-3-((R)-3-(cyclopropylmethylsulfonyl)-2-(2,2-difluoro-2-(4-fluorophenoxy)ethylamino)propanamido)-2-oxopentanamide
• 英文别名: (3S)-N-cyclopropyl-3-[[(2R)-3-(cyclopropylmethylsulfonyl)-2-[[2,2-difluoro-2-(4-fluorophenoxy)ethyl]amino]propanoyl]amino]-2-oxopentanamide
• CAS: 1227086-98-7
• 化学式: C₂₃H₃₀F₃N₃O₆S
• 分子量: 533.569
• InChiKey: NIBTVLYSLNBZIM-OALUTQOASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  36
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  139
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS
  申请人：Virobay, Inc.

  公开号：EP2361243A2

  公开（公告）日：2011-08-31
• [EN] HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS<br/>[FR] COMPOSÉS CONTENANT UN HALOGÉNOALKYLE EN TANT QU'INHIBITEURS DE CYSTÉINE PROTÉASE
  申请人：VIROBAY INC

  公开号：WO2010056877A2

  公开（公告）日：2010-05-20

  The present invention is directed to compounds that are inhibitors of cysteine proteases, in particular, cathepsins B, K, L, F, and S and are therefore useful in treating diseases mediated by these proteases. The present invention is directed to pharmaceutical compositions comprising these compounds and processes for preparing them.