2-[5-羟基-2-(3-羟基丙基)环己基]-5-(2-甲基-2-辛烷基)苯酚 | 88097-86-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-[5-羟基-2-(3-羟基丙基)环己基]-5-(2-甲基-2-辛烷基)苯酚
• 英文名称: Aminobenztropine
• 英文别名: 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy-phenylmethyl]aniline
• CAS: 88097-86-3
• 化学式: C₂₁H₂₆N₂O
• 分子量: 322.4
• InChiKey: KZFDKINRISJFCO-UHFFFAOYSA-N

物化性质

• 溶解度：
  >48.4 [ug/mL]
• 碰撞截面：
  180.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  38.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Hydrogel Prodrugs
  申请人：ASCENDIS PHARMA A/S

  公开号：US20150258205A1

  公开（公告）日：2015-09-17

  The present invention relates to a process for the preparation of a hydrogel and to a hydrogel obtainable by said process. The present invention further relates to a process for the preparation of a hydrogel-spacer conjugate, to a hydrogel-spacer conjugate obtainable by said process, to a process for the preparation of a carrier-linked prodrug and to carrier-linked prodrugs obtainable by said process, in particular to carrier-linked prodrugs that provide for a controlled or sustained release of a drug from a carrier. In addition, the invention relates to the use of the hydrogel for the preparation of a carrier-linked prodrug.

  本发明涉及一种制备水凝胶的方法，以及通过该方法可获得的水凝胶。本发明还涉及一种制备水凝胶-间隔物共轭物的方法，以及通过该方法可获得的水凝胶-间隔物共轭物，还涉及一种制备载体连结的前药的方法，以及通过该方法可获得的载体连结的前药，特别是提供了能够从载体中控制或持续释放药物的载体连结的前药。此外，本发明涉及使用水凝胶制备载体连结的前药。
• [EN] PROTECTING GROUP COMPRISING A PURIFICATION TAG<br/>[FR] GROUPE PROTECTEUR COMPRENANT UNE ÉTIQUETTE DE PURIFICATION
  申请人：ASCENDIS PHARMA AS

  公开号：WO2015052155A1

  公开（公告）日：2015-04-16

  The present invention relates to compounds comprising a protecting group moiety-tag moiety conjugate, a method of purification and monoconjugates obtained from such method of purification.

  本发明涉及包含保护基团-标记基团共轭物的化合物，以及一种纯化方法和从该纯化方法获得的单共轭物。
• Biodegradable Polyethylene Glycol Based Water-Insoluble Hydrogels
  申请人：Rau Harald

  公开号：US20120156259A1

  公开（公告）日：2012-06-21

  The present invention relates to biodegradable polyethylene glycol based water-insoluble hydrogels comprising backbone moieties which are interconnected by hydrolytically degradable bonds, the backbone moieties further comprising reactive functional groups, wherein the water-insoluble hydrogel is further characterized in that the ratio between the time period for the complete degradation of the hydrogel by hydrolysis of the degradable bonds into water-soluble degradation products comprising one or more backbone moieties and the time period for the release of the first 10 mol-% of water-soluble degradation products comprising one or more backbone moieties based on the total amount of backbone moieties in the hydrogel is greater than 1 and equal to or less than 2. The invention further relates to conjugates of such hydrogels with ligands or ligating groups, prodrugs and pharmaceutical compositions as well as their use in a medicament.

  本发明涉及可生物降解的聚乙二醇基水不溶性水凝胶，其包含通过水解降解键相互连接的骨架基团，骨架基团进一步包括反应性功能团，其中水不溶性水凝胶的特征在于，通过水解降解可将可降解键分解为可溶于水的降解产物，包括一个或多个骨架基团，完全降解水凝胶所需的时间与基于水凝胶中所有骨架基团数量的第一个10摩尔％可溶性降解产物的释放时间之比大于1且小于等于2。本发明还涉及这种水凝胶与配体或配位基团的共轭物、前药和制药组合物以及它们在药物中的使用。
• Target specific screens and their use for discovering small organic molecular pharmacophores
  申请人：DGI TECHNOLOGIES, INC.

  公开号：EP1028315A2

  公开（公告）日：2000-08-16

  The invention relates to a general process by which recombinantly derived variable domains of antibodies encompassing either or both light and heavy variable regions with or without respective constant regions are engineered and selected for identification of unique surface domains of pharmaceutical targets or parts thereof which regulate target function. The recombinant antibodies are useful as reagents for high volume, rapid screening of occupation of the active surface domains by natural or synthetic entities. This invention is also directed to elucidating the three-dimensional conformation of the antibodies, or parts thereof, which bind to the pharmaceutical targets and confers activity. Methods for creating high resolution molecular models which can direct the synthesis of biologically active small organic molecules useful as viable discovery drug leads are also provided.

  本发明涉及一种通用工艺，通过该工艺，重组衍生的抗体可变结构域（包括轻型和重型可变区，以及或不包括各自的恒定区）被设计和筛选出来，用于识别药物靶点或其部分的独特表面结构域，从而调节靶点功能。重组抗体可作为试剂，用于大量、快速筛选天然或合成实体对活性表面结构域的占用。本发明还旨在阐明抗体或其部分的三维构象，这些构象与药物靶点结合并赋予活性。本发明还提供了建立高分辨率分子模型的方法，这些模型可以指导合成具有生物活性的有机小分子，作为可行的药物发现线索。
• Protecting group comprising a purification tag
  申请人：Ascendis Pharma A/S

  公开号：US10040850B2

  公开（公告）日：2018-08-07

  The present invention relates to compounds comprising a protecting group moiety-tag moiety conjugate, a method of purification and monoconjugates obtained from such method of purification.

  本发明涉及包含保护基团-标记基团共轭物的化合物、纯化方法以及通过这种纯化方法获得的单体。