(2S,4R)-N-[(3S)-7-amino-1,2-dioxo-1-(2-thiophen-2-ylethylamino)heptan-3-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide | 1047402-83-4

• 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: (2S,4R)-N-[(3S)-7-amino-1,2-dioxo-1-(2-thiophen-2-ylethylamino)heptan-3-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide
• CAS: 1047402-83-4
• 化学式: C₃₅H₅₁ClN₆O₇S₂
• 分子量: 767.411
• InChiKey: ASOIYORKQOFBQM-KWBMWPQYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  51
• 可旋转键数：
  20
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  226
• 氢给体数：
  5
• 氢受体数：
  11

文献信息

• COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS
  申请人：Tully David C.

  公开号：US20100056756A1

  公开（公告）日：2010-03-04

  The invention provides compounds and pharmaceutical compositions thereof, which are useful for modulating channel activating proteases, and methods for, using such compounds to treat, ameliorate or prevent a condition associated with a channel activating protease, including but not limited to prostasin, PRSS22, TMPRSS11 (e.g., TMPRSS11B, TMPRSS11E), TMPRSS2, TMPRSS3, TMPRSS4 (MTSP-2), matriptase (MTSP-1), CAP2, CAP3, trypsin, cathepsin A, or neutrophil elastase.
• US8293915B2
  申请人：——

  公开号：US8293915B2

  公开（公告）日：2012-10-23
• [EN] COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS<br/>[FR] COMPOSÉS ET COMPOSITIONS SERVANT D'INHIBITEURS DE PROTÉASE D'ACTIVATION DE CANAUX
  申请人：IRM LLC

  公开号：WO2008097676A1

  公开（公告）日：2008-08-14

  [EN] The invention provides compounds and pharmaceutical compositions thereof, which are useful for modulating channel activating proteases, and methods for, using such compounds to treat, ameliorate or prevent a condition associated with a channel activating protease, including but not limited to prostasin, PRSS22, TMPRSS11 (e.g., TMPRSS11B, TMPRSS11E), TMPRSS2, TMPRSS3, TMPRSS4 (MTSP-2), matriptase (MTSP-1), CAP2, CAP3, trypsin, cathepsin A, or neutrophil elastase.
  [FR] La présente invention concerne des composés et des compositions pharmaceutiques de ces composés, qui sont utilisés pour moduler des protéases d'activation de canaux, ainsi que des procédés mettant en oeuvre de tels composés pour traiter, atténuer ou prévenir un état pathologique associé à une protéase d'activation de canaux, par exemple la prostasine, PRSS22, TMPRSS11 (tel que TMPRSS11B, TMPRSS11E), TMPRSS2, TMPRSS3, TMPRSS4 (MTSP-2), la matriptase (MTSP-1), CAP2, CAP3, la trypsine, la cathepsine A ou l'élastase neutrophile.