(3E)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;hydrate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (3E)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;hydrate
• 化学式: C32H36Cl2N4O5S
• 分子量: 659.6
• InChiKey: MKHQWLQMOSOUEQ-YYSKIWIHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.28
• 重原子数：
  44
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• Non-membrane disruptive P53 activating stapled peptides
  申请人：AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH

  公开号：US11319344B2

  公开（公告）日：2022-05-03

  The present invention relates to non-membrane disruptive and p53 activating stapled peptides, as well as methods of treatment of cancer involving the use of these peptides. In one embodiment, the peptide comprises or consist of the amino acid sequence of TSFXaa1EY-WXaa3LLXaa2, where Xaa1 is (R)-2-(7′-octenyl)alanine or derivative thereof, or is (R)-2-(4′-pentenyl)alanine or derivative thereof; and Xaa2 and Xaa3 are independently any type of amino acid or modified amino acid. In another embodiment, the peptide comprising or consisting of the amino acid sequence of TSFXaa1EYW Xaa3LLXaa2ENXaa5, wherein Xaa1 and Xaa3 are any type of amino acid or modified amino acid; Xaa2 is S, or P, or (S)-2-(4′-pentenyl)alanine or a derivative of (S)-2-(4′-pentenyl)alanine; and wherein Xaa5 is F or Y.

  本发明涉及非膜破坏性和 p53 活化的钉状肽，以及使用这些肽治疗癌症的方法。在一个实施方案中，肽包括或由TSFXaa1EY-WXaa3LLXaa2的氨基酸序列组成，其中Xaa1是(R)-2-(7′-辛烯基)丙氨酸或其衍生物，或者是(R)-2-(4′-戊烯基)丙氨酸或其衍生物；Xaa2和Xaa3独立地是任何类型的氨基酸或修饰氨基酸。在另一个实施方案中，包括或由TSFXaa1EYW Xaa3LLXaa2ENXaa5的氨基酸序列组成的肽，其中Xaa1和Xaa3是任何类型的氨基酸或修饰氨基酸；Xaa2是S，或P，或(S)-2-(4′-戊烯基)丙氨酸或(S)-2-(4′-戊烯基)丙氨酸的衍生物；其中Xaa5是F或Y。
• PEPTIDES AND METHODS FOR TREATING CANCER
  申请人：Agency for Science, Technology and Research

  公开号：EP2904000A1

  公开（公告）日：2015-08-12
• NON-MEMBRANE DISRUPTIVE P53 ACTIVATING STAPLED PEPTIDES
  申请人：Agency for Science, Technology and Research

  公开号：EP3256484B1

  公开（公告）日：2021-06-23
• NON-MEMBRANE DISRUPTIVE p53 ACTIVATING STAPLED PEPTIDES
  申请人：Agency for Science, Technology and Research

  公开号：EP3256484A1

  公开（公告）日：2017-12-20
• STAPLING eIF4E INTERACTING PEPTIDES
  申请人：AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH

  公开号：US20160046672A1

  公开（公告）日：2016-02-18

  The present invention relates to cross-linked peptides that are associated with human eIF4G and bind to eIF4E, uses thereof and pharmaceutical compositions comprising the peptides.