3,3-Difluoro-4-[(4-methylphenyl)methyl]cyclooctyne

• 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: 3,3-Difluoro-4-[(4-methylphenyl)methyl]cyclooctyne
• 英文别名: 3,3-difluoro-4-[(4-methylphenyl)methyl]cyclooctyne
• 化学式: C₁₆H₁₈F₂
• 分子量: 248.31
• InChiKey: OPHOKICHJCXZFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• TARGETED IDURONATE-2-SULFATASE COMPOUNDS
  申请人：ANGIOCHEM INC.

  公开号：US20150290341A1

  公开（公告）日：2015-10-15

  The present invention is related to a compound that includes a lysosomal enzyme and a targeting moiety, for example, a compound that includes iduronate-2-sulfatase conjugated to Angiopep-2 through a linker formed by specific click chemistry reactions. In certain embodiments, these compounds, owing to the presence of the targeting moiety, can cross the blood-brain barrier or accumulate in the lysosome more effectively than the enzyme alone. The invention also features pharmaceutical compositions containing such compounds and methods for treating lysosomal storage disorders (e.g., mucopolysaccharidosis Type II) using such compounds.

  本发明涉及一种化合物，包括溶酶体酶和靶向基团，例如，包括通过特定点击化学反应形成的连接物将硫酸二糖醛酸酶与Angiopep-2结合在一起的化合物。在某些实施例中，由于存在靶向基团，这些化合物可以比单独的酶更有效地穿过血脑屏障或在溶酶体中积累。该发明还涉及含有这种化合物的药物组合物以及使用这种化合物治疗溶酶体贮积疾病（例如，粘多糖贮积症II型）的方法。
• MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE
  申请人：Regeneron Pharmaceuticals, Inc.

  公开号：US20170209591A1

  公开（公告）日：2017-07-27

  Provided herein are maytansinoid compounds, derivatives thereof, conjugates thereof, and methods of treating or preventing proliferative diseases with the same.

  本文提供了马替西酚类化合物、其衍生物、共轭物以及使用它们治疗或预防增生性疾病的方法。
• 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）。
• FUSED CYCLOOCTYNE COMPOUNDS
  申请人：SynAffix B.V.

  公开号：EP3604264A1

  公开（公告）日：2020-02-05

  The invention relates to fused cyclooctyne compounds, and to a method for their preparation. The invention also relates to a conjugate wherein a fused cyclooctyne compound according to the invention is conjugated to a label, and to the use of these conjugates in bioorthogonal labeling, imaging and/or modification, such as for example surface modification, of a target molecule. The invention further relates to a method for the modification of a target molecule, wherein a conjugate according to the invention is reacted with a compound comprising a 1,3-dipole or a 1,3-(hetero)diene.

  本发明涉及融合环辛炔化合物及其制备方法。本发明还涉及一种共轭物，其中根据本发明的融合环辛炔化合物与标签共轭，并涉及这些共轭物在目标分子的生物正交标记、成像和/或修饰（例如表面修饰）中的用途。本发明还涉及一种修饰目标分子的方法，其中根据本发明的共轭物与包含 1，3-二极或 1，3-（杂）二烯的化合物反应。
• FUSED CYCLOOCTYNE COMPOUNDS AND THEIR USE IN METAL-FREE CLICK REACTIONS
  申请人：SynAffix B.V.

  公开号：EP2894142B1

  公开（公告）日：2019-06-12