trans-6,6-Dimethyl-2,3-benzo-2,4-cyclooctadienol | 58746-71-7

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: trans-6,6-Dimethyl-2,3-benzo-2,4-cyclooctadienol
• 英文别名: 2,3-Benzo-6,6-dimethyl-2,4-cyclooctadienol；(9E)-5,6,7,8-Tetrahydro-8,8-dimethylbenzocycloocten-5-ol；(5E)-7,7-dimethyl-9,10-dihydro-8H-benzo[8]annulen-10-ol
• CAS: 58746-71-7
• 化学式: C₁₄H₁₈O
• 分子量: 202.296
• InChiKey: TWVGJGTXRBIYAQ-VQHVLOKHSA-N

物化性质

• 沸点：
  339.2±21.0 °C(Predicted)
• 密度：
  1.009±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• [EN] COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE<br/>[FR] COMPOSÉS POUR LIBÉRATION DE CHIMIE CLICK RAPIDE ET EFFICACE
  申请人：TAGWORKS PHARMACEUTICALS B V

  公开号：WO2020256546A1

  公开（公告）日：2020-12-24

  The invention disclosed herein relates to compounds, combinations, kits, and methods using same, for use in bioorthogonal release reactions. In particular, the compounds, combinations and kits of the invention can be used to achieve fast and efficient click release. Applications of the compounds, combinations, and kits of the invention include both in vitro and in vivo applications.

  本发明涉及化合物、组合物、试剂盒及其使用方法，用于生物正交释放反应。特别是，本发明的化合物、组合物和试剂盒可用于实现快速高效的点击释放。本发明的化合物、组合物和试剂盒的应用包括体外和体内应用。
• [EN] TETRAZINES FOR HIGH CLICK RELEASE SPEED AND YIELD<br/>[FR] TÉTRAZINES POUR UNE VITESSE ET UN RENDEMENT DE LIBÉRATION DE CHIMIE CLIC ÉLEVÉS
  申请人：TAGWORKS PHARMACEUTICALS B V

  公开号：WO2020256544A1

  公开（公告）日：2020-12-24

  Disclosed herein are tetrazines substituted with groups that result in a high click conjugation yield and high click release yields. In some of several other aspects, the invention relates to combinations and kits comprising said tetrazines and a dienophile, preferably a trans-cyclooctene. In another aspect, the compounds, combinations, and kits are for use as a medicament.

  本文揭示了用于高点击共轭产量和高点击释放产量的基团替代的四唑类化合物。在其他几个方面，本发明涉及包括所述四唑类化合物和双亲核烯的组合和试剂盒，其中双亲核烯优选为反-环辛烯。在另一个方面，这些化合物、组合和试剂盒可用作药物。
• [EN] AGENTS FOR CLEAVING LABELS FROM BIOMOLECULES IN VIVO<br/>[FR] AGENTS PERMETTANT DE CLIVER IN VIVO DES MARQUEURS LIÉS À DES BIOMOLÉCULES
  申请人：TAGWORKS PHARMACEUTICALS B V

  公开号：WO2020256545A1

  公开（公告）日：2020-12-24

  Disclosed herein are compounds comprising trans-cyclooctene moieties, combinations, and kits that can be used to more quickly remove radionuclides from a subject, preferably a human being. Said compounds, combinations and kits can also be used to increase the tumor-to-blood ratio, or to more rapidly and/or conveniently achieve such an increase, of a label in targeted imaging or targeted radiotherapy in a subject, preferably a human being.

  本文所披露的化合物包括顺-环辛烯基团，组合物和套装，可用于更快地从受试者（最好是人）中清除放射性核素。所述化合物、组合物和套装还可用于增加靶向成像或靶向放射治疗中标记物的肿瘤/血液比率，或更快地和/或更方便地实现这种增加，适用于受试者（最好是人）。
• TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD
  申请人：Tagworks Pharmaceuticals B.V.

  公开号：US20210299286A1

  公开（公告）日：2021-09-30

  Disclosed herein are tetrazines substituted with groups that result in a high click conjugation yield in vivo and high click release yields. In one aspect, the invention relates to kits having the tetrazines and a dienophile, preferably a trans-cyclooctene. In another aspect, the kits of the invention are for use as a medicament.
• COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY
  申请人：Tagworks Pharmaceuticals B.V.

  公开号：US20210308207A1

  公开（公告）日：2021-10-07

  Disclosed are compounds having a linker for increasing trans-cyclooctene stability. The linker of the invention is a three-arm linker. In some embodiments, one arm of the linker is attached to a trans-cyclooctene moiety, another arm is attached to a compound selected from the group consisting of antibodies, proteins, peptides, and peptoids, and the third arm extends into the solution.