4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-8-fluoro-3,5-dihydro-1,4-benzodiazepin-2-one | 1174566-46-1

• 分子结构分类: 有机化合物
• 英文名称: 4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-8-fluoro-3,5-dihydro-1,4-benzodiazepin-2-one
• CAS: 1174566-46-1
• 化学式: C₂₅H₂₄F₆N₄O₃
• 分子量: 542.481
• InChiKey: GBZOCGBWZXMJDN-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  87
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• NOVEL HETEROCYCLIC COMPOUNDS
  申请人：Jain Rajesh

  公开号：US20100311732A1

  公开（公告）日：2010-12-09

  The present invention relates to novel compounds of Formula I, their pharmaceutically acceptable derivatives, tautomeric forms, stereoisomers including R and S isomers, polymorphs, prodrugs, metabolites, salts or solvates thereof. The invention also relates to the processes for the synthesis of novel compounds of Formula I, their pharmaceutically acceptable derivatives, tautomeric forms, stereoisomers, polymorphs, prodrugs, metabolites, salts or solvates thereof. The present invention also provides pharmaceutical compositions comprising compounds of Formula I and methods of treating or preventing one or more conditions that may be regulated or normalized via inhibition of dipeptidyl peptidase IV (DPP-IV).

  本发明涉及一种新型I式化合物，其药学上可接受的衍生物、互变异构体、立体异构体（包括R和S异构体）、多晶形、前药、代谢物、盐或溶剂化物。本发明还涉及制备新型I式化合物、其药学上可接受的衍生物、互变异构体、立体异构体、多晶形、前药、代谢物、盐或溶剂化物的方法。本发明还提供了包含I式化合物的制药组合物和通过抑制二肽基肽酶IV（DPP-IV）来治疗或预防可能通过调节或规范的一种或多种情况的方法。
• US8455479B2
  申请人：——

  公开号：US8455479B2

  公开（公告）日：2013-06-04
• [EN] NOVEL HETEROCYCLIC COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS HÉTÉROCYCLIQUES
  申请人：PANACEA BIOTEC LTD

  公开号：WO2009093269A1

  公开（公告）日：2009-07-30

  The present invention relates to novel compounds of Formula I, their pharmaceutically acceptable derivatives, tautomeric forms, stereoisomers including R and S isomers, polymorphs, prodrugs, metabolites, salts or solvates thereof. The invention also relates to the processes for the synthesis of novel compounds of Formula I, their pharmaceutically acceptable derivatives, tautomeric forms, stereoisomers, polymorphs, prodrugs, metabolites, salts or solvates thereof. The present invention also provides pharmaceutical compositions comprising compounds of Formula I and methods of treating or preventing one or more conditions that may be regulated or normalized via inhibition of dipeptidyl peptidase IV (DPP-IV). Formula I