4-(3,3,6,6-Tetrafluoro-1-azacyclooct-4-yne-1-carbonyl)benzoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(3,3,6,6-Tetrafluoro-1-azacyclooct-4-yne-1-carbonyl)benzoic acid
• 英文别名: 4-(3,3,6,6-tetrafluoro-1-azacyclooct-4-yne-1-carbonyl)benzoic acid
• 化学式: C₁₅H₁₁F₄NO₃
• 分子量: 329.25
• InChiKey: JSOGJIGFLHNCMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Compositions and Methods for Modification of Biomolecules
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20160243135A1

  公开（公告）日：2016-08-25

  The present invention provides modified cycloalkyne compounds; and method of use of such compounds in modifying biomolecules. The present invention features a cycloaddition reaction that can be carried out under physiological conditions. In general, the invention involves reacting a modified cycloalkyne with an azide moiety on a target biomolecule, generating a covalently modified biomolecule. The selectivity of the reaction and its compatibility with aqueous environments provide for its application in vivo (e.g., on the cell surface or intracellularly) and in vitro (e.g., synthesis of peptides and other polymers, production of modified (e.g., labeled) amino acids).

  本发明提供了经过改性的环烷炔化合物；以及利用这些化合物修饰生物分子的方法。本发明特征在于可以在生理条件下进行的环加成反应。一般而言，本发明涉及将改性的环烷炔与目标生物分子上的偶氮基团反应，生成共价修饰的生物分子。该反应的选择性和其与水相环境的兼容性使其能够应用于体内（例如，细胞表面或细胞内）和体外（例如，合成肽和其他聚合物，生产改性的（例如，标记的）氨基酸）。
• D-amino acid derivative-modified peptidoglycan and methods of use thereof
  申请人：The Regents of the University of California

  公开号：US10016498B2

  公开（公告）日：2018-07-10

  The present disclosure provides modified bacteria and modified peptidoglycan comprising modified D-amino acids; compositions comprising the modified bacteria or peptidoglycan; and methods of using the modified bacteria or peptidoglycan. The modified D-amino acids include a bioorthogonal functional group such as an azide, an alkyne or a norbornene group. Also provided are modified peptidoglycans conjugated to a molecule of interest via a linker.

  本公开提供了包含改性 D-氨基酸的改性细菌和改性肽聚糖；包含改性细菌或肽聚糖的组合物；以及使用改性细菌或肽聚糖的方法。改性 D-氨基酸包括生物正交官能团，如叠氮基、炔基或降冰片烯基。还提供了通过连接体与相关分子共轭的改性肽聚糖。
• Compositions and methods for modification of biomolecules
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US10434111B2

  公开（公告）日：2019-10-08

  The present invention provides modified cycloalkyne compounds; and method of use of such compounds in modifying biomolecules. The present invention features a cycloaddition reaction that can be carried out under physiological conditions. In general, the invention involves reacting a modified cycloalkyne with an azide moiety on a target biomolecule, generating a covalently modified biomolecule. The selectivity of the reaction and its compatibility with aqueous environments provide for its application in vivo (e.g., on the cell surface or intracellularly) and in vitro (e.g., synthesis of peptides and other polymers, production of modified (e.g., labeled) amino acids).

  本发明提供了改性环烷烃化合物；以及将此类化合物用于改性生物大分子的方法。本发明的特点是可以在生理条件下进行环化反应。一般来说，本发明包括使修饰的环烷烃与目标生物大分子上的叠氮基反应，生成共价修饰的生物大分子。该反应的选择性及其与水环境的兼容性为其在体内（如细胞表面或细胞内）和体外（如肽和其他聚合物的合成、修饰（如标记）氨基酸的生产）的应用提供了条件。
• D-Amino Acid Derivative-Modified Peptidoglycan and Methods of Use Thereof
  申请人：The Regents of the University of California

  公开号：US20140170183A1

  公开（公告）日：2014-06-19

  The present disclosure provides modified bacteria and modified peptidoglycan comprising modified D-amino acids; compositions comprising the modified bacteria or peptidoglycan; and methods of using the modified bacteria or peptidoglycan. The modified D-amino acids include a bioorthogonal functional group such as an azide, an alkyne or a norbornene group. Also provided are modified peptidoglycans conjugated to a molecule of interest via a linker.
• D-AMINO ACID DERIVATIVE-MODIFIED PEPTIDOGLYCAN AND METHODS OF USE THEREOF
  申请人：The Regents of the University of California

  公开号：US20170021013A1

  公开（公告）日：2017-01-26

  The present disclosure provides modified bacteria and modified peptidoglycan comprising modified D-amino acids; compositions comprising the modified bacteria or peptidoglycan; and methods of using the modified bacteria or peptidoglycan. The modified D-amino acids include a bioorthogonal functional group such as an azide, an alkyne or a norbornene group. Also provided are modified peptidoglycans conjugated to a molecule of interest via a linker.