4-(2,2-dimethylpropyl sulfo)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 4-(2,2-dimethylpropyl sulfo)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid
• 英文别名: 4-(2,2-dimethylpropoxysulfonyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
• 化学式: C₂₄H₂₉NO₇S
• 分子量: 475.6
• InChiKey: TYNFNWKIJOXRLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• PEPTIDES AND USE THEREOF
  申请人：Warenius, Hilmar M

  公开号：EP3947418A2

  公开（公告）日：2022-02-09
• [EN] PEPTIDES AND USE THEREOF<br/>[FR] PEPTIDES ET LEUR UTILISATION
  申请人：WARENIUS HILMAR

  公开号：WO2020193978A2

  公开（公告）日：2020-10-01

  The present invention relates to a cyclic peptide comprising an active region comprising the amino acid sequence X1X2X3X4X5X6 or a salt, derivative, prodrug or mimetic thereof. X2 and X5 are arginine; and either: X1 is (7-methoxy-coumarin-4-yl)-Ala-OH (Dac) and X3, X4 and X6 are any amino acid; or X3 is sarcosine (Sar) and X1, X4 and X6 are any amino acid; or X4 is 5,5-dimethylproline (dm Pro) or 3-amino-3-(2-naphthyl)propionic acid (Nap) and X1, X3 and X6 are any amino acid; or X6 is Nap and X1, X3 and X4 are any amino acid. The present invention further relates to a pharmaceutical composition comprising the cyclic peptide and the peptide for use in medicine, and particularly cancer.