N-[2-(5-pyridiniovaleroylthio)benzoyl]-L-isoleucine bromide | 252898-20-7

• 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: N-[2-(5-pyridiniovaleroylthio)benzoyl]-L-isoleucine bromide
• 英文别名: (2S,3S)-3-methyl-2-[[2-(5-pyridin-1-ium-1-ylpentanoylsulfanyl)benzoyl]amino]pentanoic acid;bromide
• CAS: 252898-20-7
• 化学式: Br*C₂₃H₂₉N₂O₄S
• 分子量: 509.464
• InChiKey: YNCRTJMWHJSSBZ-PVMVIUQGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• THIOLESTERS AND USES THEREOF
  申请人：THE UNITED STATES OF AMERICA,as represented by THE SECRETARY, Department of Health and Human Services

  公开号：EP1087941A2

  公开（公告）日：2001-04-04
• Thiolesters and uses thereof
  申请人：The Government of the U. S.of America as Represented by The Sec. of Health and Human Svc.

  公开号：US20040132785A1

  公开（公告）日：2004-07-08

  This invention pertains to the discovery of a novel family of thiolesters and uses thereof. Also provided for are viricidal compounds and pharmaceutical formulations comprising these novel thiolesters. The invention also provides thiolester-inactivated viruses and thiolester-complexed viral proteins.
• US6706729B1
  申请人：——

  公开号：US6706729B1

  公开（公告）日：2004-03-16
• US7625917B2
  申请人：——

  公开号：US7625917B2

  公开（公告）日：2009-12-01
• [EN] NOVEL THIOLESTERS AND USES THEREOF<br/>[FR] NOUVEAUX THIOESTERS ET LEURS UTILISATIONS
  申请人：——

  公开号：WO1999065871A2

  公开（公告）日：1999-12-23

  [EN] This invention pertains to the discovery of a novel family of thiolesters and uses thereof. Also provided for are viricidal compounds and pharmaceutical formulations comprising these novel thiolesters. The invention also provides thiolester-inactivated viruses and thiolester-complexed viral proteins.
  [FR] L'invention concerne la découverte d'une nouvelle famille de thioesters et leurs utilisations; des composés viricides et des formulations pharmaceutiques renfermant lesdits thioesters; des virus inactivés par lesdits thioesters et des protéines virales complexées par lesdits thioesters.