1-Benzyl-4-(2-((1,1'-biphenyl)-4-yloxy)ethyl)piperazine

• 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: 1-Benzyl-4-(2-((1,1'-biphenyl)-4-yloxy)ethyl)piperazine
• 英文别名: 1-benzyl-4-[2-(4-phenylphenoxy)ethyl]piperazine
• 化学式: C₂₅H₂₈N₂O
• 分子量: 372.5
• InChiKey: IKBSUJSLCUTAQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  15.7
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Dibenzodiazepine derivatives, their preparation and use
  申请人：——

  公开号：US20030139394A1

  公开（公告）日：2003-07-24

  The invention relates to compounds of the formula I 1 and their tautomeric forms, possible enantiomeric and diastereomeric forms and their prodrugs, and to their preparation and use, where A, B, R 1 and X 1 have the meanings given in the description.

  本发明涉及公式I1化合物及其互变异构体，可能的对映异构体和二对映异构体以及它们的前药，以及它们的制备和使用，其中A、B、R1和X1的含义如说明书所述。
• Compositions with permeation enhancers for drug delivery
  申请人：Children's Medical Center Corporation

  公开号：US11110175B2

  公开（公告）日：2021-09-07

  The present invention provides compositions and methods for delivery of therapeutic agents across an barrier. The compositions include a therapeutic agent (e.g., antimicrobial agent, antibiotic, or anesthetic agent), a permeation enhancer which increases the flux of the therapeutic agent across the barrier, and a matrix forming agent. The matrix forming agent forms a gel at a suitable gelation temperature and rheological properties for use in drug delivery, and in some cases, the gelation temperature and rheological properties are not significantly changed from those of the composition without the permeation enhancer. The invention also provides a matrix forming agent and compositions thereof. Such compositions are particularly useful in the treatment of otitis media. Methods of treatment, methods of delivery, and kits for the compositions described herein are also provided.

  本发明提供了跨屏障递送治疗剂的组合物和方法。这些组合物包括治疗剂（如抗菌剂、抗生素或麻醉剂）、增加治疗剂通过屏障的通量的渗透促进剂和基质形成剂。基质形成剂在合适的凝胶温度和流变特性下形成凝胶，用于给药，在某些情况下，凝胶温度和流变特性与不含渗透增强剂的组合物相比没有明显变化。本发明还提供了一种基质形成剂及其组合物。这种组合物特别适用于中耳炎的治疗。本发明还提供了用于本文所述组合物的治疗方法、给药方法和试剂盒。
• COMPOSITIONS WITH PERMEATION ENHANCERS FOR DRUG DELIVERY
  申请人：Children's Medical Center Corporation

  公开号：EP3331547A1

  公开（公告）日：2018-06-13
• Molecules to Enhance Percutaneous Delivery and Methods for Discovery Therefor
  申请人：Mitragotri Samir

  公开号：US20090105260A1

  公开（公告）日：2009-04-23

  An IR spectroscopic technique provides methods for measuring the irritation potential of a formulation and to assess the ability of molecules to enhance the permeability of substances into and through skin using samples comprising stratum corneum. Molecules are screened for their performance as chemical penetration enhancers using a unique in silico procedure that may be applied iteratively in an attempt to generate molecules showing successively higher performance. Both the irritation potential and the ability of the molecule to enhance penetration are considered in the in silico approach. The invention provides specific molecules that may be used in topical or transdermal formulations to improve the delivery of actives. The structures of compounds of the invention include: Formulas (I), (II), (III), (IV), (V), (IV) and analogs thereof.
• [EN] MOLECULES TO ENHANCE PERCUTANEOUS DELIVERY AND METHODS FOR DISCOVERY THEREFOR<br/>[FR] MOLECULES AMELIORANT L'ADMINISTRATION PERCUTANEE ET METHODES DE DECOUVERTE ASSOCIEES
  申请人：UNIV CALIFORNIA

  公开号：WO2006091297A2

  公开（公告）日：2006-08-31

  [EN] An IR spectroscopic technique provides methods for measuring the irritation potential of a formulation and to assess the ability of molecules to enhance the permeability of substances into and through skin using samples comprising stratum corneum. Molecules are screened for their performance as chemical penetration enhancers using a unique in silico procedure that may be applied iteratively in an attempt to generate molecules showing successively higher performance. Both the irritation potential and the ability of the molecule to enhance penetration are considered in the in silico approach. The invention provides specific molecules that may be used in topical or transdermal formulations to improve the delivery of actives. The structures of compounds of the invention include: Formulas (I), (II), (III), (IV), (V), (IV) and analogs thereof.
  [FR] Selon l'invention, une technique de spectroscopie infrarouge fournit des méthodes permettant de mesurer le potentiel d'irritation d'une préparation et d'évaluer la capacité des molécules à améliorer la perméabilité de substances dans et à travers la peau, au moyen d'échantillons contenant de la couche cornée. Des molécules sont criblées sur le plan de leur efficacité en tant qu'amplificateurs chimiques de pénétration, au moyen d'une procédure unique in silico qui peut être appliquée de manière itérative dans une tentative de génération de molécules présentant successivement une efficacité plus élevée. A la fois, le potentiel d'irritation et la capacité de la molécule d'amélioration de la pénétration sont considérés dans l'approche in silico. Cette invention a aussi pour objet des molécules spécifiques qui peuvent être utilisées dans des préparations topiques ou transdermiques en vue d'améliorer l'administration de substances actives. Les structures des composés de ladite invention comprennent les formules suivantes et les analogues associés.