N-(4-aminobenzyl)-3,6,10,13,19-hexaazabicyclo[6.6.6]eicosane-1,8-diamine

• 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: N-(4-aminobenzyl)-3,6,10,13,19-hexaazabicyclo[6.6.6]eicosane-1,8-diamine
• 英文别名: 1-N-(4-aminobenzyl)-3,6,10,13,16,19-1-N-(4-aminobenzyl)-3,6,10,13,16,19-hexaazabicyclo[6.6.6]eicosane-1,8-diamine；amino-benzyl-cryptate；1-N-(4-aminobenzyl)-3,6,10,13,16,19-hexaazabicyclo[6.6.6]eicosane-1,8-diamine；sarar；8-N-[(4-aminophenyl)methyl]-3,6,10,13,16,19-hexazabicyclo[6.6.6]icosane-1,8-diamine
• 化学式: C₂₁H₄₁N₉
• 分子量: 419.617
• InChiKey: OOLRAQKFMNOZBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.6
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  136
• 氢给体数：
  9
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N-(4-aminobenzyl)-3,6,10,13,19-hexaazabicyclo[6.6.6]eicosane-1,8-diamine 在 64Cu 作用下， 反应 1.5h， 以98%的产率得到
  参考文献：
  名称：

  US6869589

  摘要：

  公开号：
• 作为产物：
  描述：

  在 palladium on activated charcoal sodium hydroxide 、 sodium tetrahydroborate 作用下， 以 水 为溶剂， 反应 0.5h， 以95%的产率得到N-(4-aminobenzyl)-3,6,10,13,19-hexaazabicyclo[6.6.6]eicosane-1,8-diamine
  参考文献：
  名称：

  US6869589

  摘要：

  公开号：

文献信息

• Imaging compounds, methods of making imaging compounds, methods of imaging, therapeutic compounds, methods of making therapeutic compounds, and methods of therapy
  申请人：Chen Xiaoyuan

  公开号：US20080267882A1

  公开（公告）日：2008-10-30

  Embodiments of the present disclosure provide for RGD compounds that include a multimeric RGD (arginine-glycine-aspartic acid (Arg-Gly-Asp)) peptide, methods of making the RGD compound, pharmaceutical compositions including RGD compound, methods of using the RGD compositions or the pharmaceutical compositions including RGD compositions, methods of diagnosing and/or targeting angiogenesis related disease and related biological events, kits for diagnosing and/or targeting angiogenesis related disease and related biological events, and the like. In addition, the present disclosure includes compositions used in and methods relating to non-invasive imaging (e.g., positron emission tomography (PET) imaging) of the RGD compounds in vivo.

  本公开的实施例提供了包括多聚体RGD（精氨酸-甘氨酸-天冬氨酸（Arg-Gly-Asp））肽的RGD化合物，制备RGD化合物的方法，包括RGD化合物的药物组合物，使用RGD组合物或包括RGD组合物的药物组合物的方法，诊断和/或靶向血管生成相关疾病和相关生物事件的方法，用于诊断和/或靶向血管生成相关疾病和相关生物事件的试剂盒等。此外，本公开还包括用于体内非侵入性成像（例如正电子发射断层扫描（PET）成像）的RGD化合物的成分和方法。
• [EN] RADIOLABELED BOMBESIN-DERIVED COMPOUNDS FOR IN VIVO IMAGING OF GASTRIN-RELEASING PEPTIDE RECEPTOR (GRPR) AND TREATMENT OF GRPR-RELATED DISORDERS<br/>[FR] COMPOSÉS RADIOMARQUÉS DÉRIVÉS DE LA BOMBÉSINE POUR L'IMAGERIE IN VIVO DU RÉCEPTEUR DU PEPTIDE LIBÉRANT DE LA GASTRINE (GRPR) ET TRAITEMENT DES TROUBLES LIÉS AU GRPR
  申请人：PROVINCIAL HEALTH SERVICES AUTHORITY

  公开号：WO2021068051A1

  公开（公告）日：2021-04-15

  There is provided bombesin-derived compounds of Formula Ia (RX-L-Xaa1-Gln-Trp-Ala-Val-Xaa2-His-Xaa3-ψ-Xaa4-NH2). RX comprises a radionuclide chelator or a trifluoroborate-containing prosthetic group. L is a linker. Xaa1 is D-Phe, Cpa (4-chlorophenylalanine), D-Cpa, Tpi (2,3,4,9-tetrahydro-1H-pyrido[3,4b]indol-3-carboxylic acid), D-Tpi, Nal (naphthylalanine), or D-Nal. Xaa2 is Gly, N-methyl-Gly or D-Ala. Xaa3 is Leu, Pro, D-Pro, or Phe. Xaa4 is Pro, Phe, Tac (thiazolidine-4-carboxylic acid), Nle (norleucine), 4-oxa-L-Pro (oxazolidine-4-carboxylic acid). The symbol ψ represents a reduced peptide bond between Xaa3 and Xaa4 in which ψ is CH2-N when Xaa4 is Pro, Tac or 4-oxa-L-Pro, or ψ is CH2N(R) when Xaa4 is Phe or Nle wherein R is H or C1-C5 linear or branched alkyl. There is also provided the use of such compounds as imaging agents or therapeutic agents.

  提供了Formula Ia（RX-L-Xaa1-Gln-Trp-Ala-Val-Xaa2-His-Xaa3-ψ-Xaa4-NH2）的波美斯因衍生物。RX包括放射性同位素螯合剂或三氟硼酸酯含基团。L是连接剂。Xaa1是D-Phe，Cpa（4-氯苯丙氨酸），D-Cpa，Tpi（2,3,4,9-四氢-1H-吡啶[3,4b]吲哚-3-羧酸），D-Tpi，Nal（萘丙氨酸）或D-Nal。Xaa2是Gly，N-甲基-Gly或D-Ala。Xaa3是Leu，Pro，D-Pro或Phe。Xaa4是Pro，Phe，Tac（噻唑啉-4-羧酸），Nle（正癸氨酸），4-氧代-L-Pro（噁唑啉-4-羧酸）。符号ψ代表Xaa3和Xaa4之间的还原肽键，其中当Xaa4为Pro，Tac或4-氧代-L-Pro时，ψ为CH2-N，或当Xaa4为Phe或Nle时，ψ为CH2N(R)，其中R为H或C1-C5线性或支链烷基。还提供了将这些化合物用作成像剂或治疗剂的用途。
• [EN] CRYPTATE COMPOUNDS<br/>[FR] COMPOSÉS CRYPTATES
  申请人：AUSTRALIAN NUCLEAR SCIENCE TEC

  公开号：WO2013003912A1

  公开（公告）日：2013-01-10

  Disclosed herein is a method for coupling a first compound having the formula (I) with a second compound that contains a carbonyl group. Also disclosed herein are compounds that can be formed by this method, and uses for such compounds.

  本文公开了一种将具有式(I)的第一化合物与含有羰基基团的第二化合物耦合的方法。本文还公开了可以通过此方法形成的化合物以及这些化合物的用途。
• CONJUGATED BISPHOSPHONATES FOR THE DIAGNOSIS AND THERAPY OF BONE DISEASES
  申请人：SCV GmbH

  公开号：US20170327520A1

  公开（公告）日：2017-11-16

  The invention relates to a compound V for complexing metallic isotopes, comprising a chelator X and one or more targeting vectors conjugated with the chelator X, said targeting vectors having the structure -L 1 -R 1 -L 2 -R 2 -L 3 -R 3 , wherein R 3 contains a bisphosphonate. A pharmaceutical consists of the compound V and a metallic isotope which is complexed with compound V.

  该发明涉及一种用于配合金属同位素的化合物V，包括螯合剂X和一个或多个与螯合剂X共轭的靶向向量，所述靶向向量具有结构-L1-R1-L2-R2-L3-R3，其中R3包含双磷酸盐。一种药物由化合物V和与化合物V配合的金属同位素组成。
• Investigating the binding properties of porous drug delivery systems using nuclear sensors (radiotracers) and positron annihilation lifetime spectroscopy—Predicting conditions for optimum performance
  作者：Eskender Mume、Daniel E. Lynch、Akira Uedono、Suzanne V. Smith

  DOI：10.1039/c0dt01499k

  日期：——

  Understanding how the size, charge and number of available pores in porous material influences the uptake and release properties is important for optimising their design and ultimately their application. Unfortunately there are no standard methods for screening porous materials in solution and therefore formulations must be developed for each encapsulated agent. This study investigates the potential of a library of radiotracers (nuclear sensors) for assessing the binding properties of hollow silica shell materials. Uptake and release of Cu2+ and Co2+ and their respective complexes with polyazacarboxylate macrocycles (dota and teta) and a series of hexa aza cages (diamsar, sarar and bis-(p-aminobenzyl)-diamsar) from the hollow silica shells was monitored using their radioisotopic analogues. Coordination chemistry of the metal (M) species, subtle alterations in the molecular architecture of ligands (Ligand) and their resultant complexes (M-Ligand) were found to significantly influence their uptake over pH 3 to 9 at room temperature. Positively charged species were selectively and rapidly (within 10 min) absorbed at pH 7 to 9. Negatively charged species were preferentially absorbed at low pH (3 to 5). Rates of release varied for each nuclear sensor, and time to establish equilibrium varied from minutes to days. The subtle changes in design of the nuclear sensors proved to be a valuable tool for determining the binding properties of porous materials. The data support the development of a library of nuclear sensors for screening porous materials for use in optimising the design of porous materials and the potential of nuclear sensors for high through-put screening of materials.

  了解多孔材料中可用孔的尺寸、电荷和数量如何影响吸收和释放特性对于优化其设计和最终应用非常重要。不幸的是，没有标准方法来筛选溶液中的多孔材料，因此必须为每种封装剂开发配方。这项研究调查了放射性示踪剂（核传感器）库用于评估空心二氧化硅壳材料的结合特性的潜力。 Cu2+和Co2+及其各自与多氮杂羧酸大环化合物（dota和teta）和一系列六氮杂笼（diamsar、sarar和双-（对氨基苄基）-diamsar）从空心二氧化硅壳中的吸收和释放使用其放射性同位素类似物。金属 (M) 物种的配位化学、配体 (Ligand) 分子结构的细微变化及其生成的复合物 (M-Ligand) 被发现在室温下在 pH 3 至 9 范围内显着影响它们的吸收。带正电的物质在 pH 值 7 至 9 时被选择性且快速（10 分钟内）吸收。带负电的物质在低 pH 值（3 至 5）下优先被吸收。每个核传感器的释放速率各不相同，建立平衡的时间从几分钟到几天不等。核传感器设计的细微变化被证明是确定多孔材料结合特性的宝贵工具。这些数据支持开发用于筛选多孔材料的核传感器库，用于优化多孔材料的设计以及核传感器用于材料高通量筛选的潜力。