CB-TE2A试剂 | 313229-90-2

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: CB-TE2A试剂
• 英文名称: 4,11-bis(carboxymethyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane-4,11-diacetic acid
• 英文别名: 2,2′-(1,4,8,11-tetraazabicyclo[6.6.2]hexadecane-4,11-diyl)diacetic acid；2,2'-(1,4,8,11-tetraazabicyclo[6.6.2]hexadecane-4,11-diyl)diacetic acid；4,11-bis-(carboxymethyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane；4,11-diacetato-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane；CB-TE2A；2-[4-(Carboxymethyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-11-yl]acetic acid；2-[11-(carboxymethyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid
• CAS: 313229-90-2
• 化学式: C₁₆H₃₀N₄O₄
• 分子量: 342.439
• InChiKey: SYFGLWDDLZQFNI-UHFFFAOYSA-N

物化性质

• 沸点：
  545.7±50.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)
• 溶解度：
  甲醇（微溶）、水（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  -4.7
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  87.6
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  赖诺普利 、 CB-TE2A试剂 在 N-羟基丁二酰亚胺 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 碳酸氢钠 作用下， 以 二甲基亚砜 为溶剂， 反应 0.33h， 生成
  参考文献：
  名称：

  N- versus C-Domain Selectivity of Catalytic Inactivation of Human Angiotensin Converting Enzyme by Lisinopril-Coupled Transition Metal Chelates

  摘要：

  The N- and C-terminal domains of human somatic angiotensin I converting enzyme (sACE-1) demonstrate distinct physiological functions, with resulting interest in the development of domain-selective inhibitors for specific therapeutic applications. Herein, the activity of lisinopril-coupled transition metal chelates was tested for both reversible binding and irreversible catalytic inactivation of each domain of sACE-1. C/N domain binding selectivity ratios ranged from,1 to 350, while rates of irreversible catalytic inactivation of the N- and C-domains were found to be significantly greater for the N-domain, suggesting a more optimal orientation of M chelate lisinopril complexes within the active site of the N-domain of sACE-1. Finally, the combined effect of binding selectivity and inactivation selectivity was assessed for each catalyst (double-filter selectivity factors), and several catalysts were found to cause domain-selective catalytic inactivation. The results of this study demonstrate the ability to optimize the target selectivity of catalytic metallopeptides through both binding and catalytic factors (double-filter effect).

  DOI：

  10.1021/jm4009345
• 作为产物：
  描述：

  4,11-dibenzyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane 在 palladium on activated charcoal ammonium hydroxide 、 氢气 、 sodium carbonate 、 溶剂黄146 作用下， 以 乙腈 为溶剂， 50.0~100.0 ℃ 、101.19 kPa 条件下， 反应 115.5h， 生成 CB-TE2A试剂
  参考文献：
  名称：

  交叉桥接环芳烃和悬垂臂衍生物的合成和表征及其铜 (II) 配合物的结构研究

  摘要：

  已经合成了一系列 1,4,8,11-四氮杂双环 [6.6.2] 十六烷配体，包括母体化合物、N,N'-二烷基变体和第一个 N,N'-双侧悬臂衍生物通过一种简短、高效且概念新颖的方法。已经制备了它们的铜 (II) 配合物，其中四种通过 X 射线衍射进行了结构表征。在所有四种配合物中，发现交叉桥接的四胺配体是顺式折叠的，使用所有四个氮孤对在其分子裂缝内配位金属阳离子。对于三个配合物，发现了理想化的四角锥体和三角双锥体配位之间的几何结构，而在双悬臂交叉桥接仙客来的配合物中发现了扭曲的八面体铜配位。

  DOI：

  10.1021/ja001295j

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。
• PSMA LIGANDS FOR IMAGING AND ENDORADIOTHERAPY
  申请人：Technische Universität München

  公开号：EP3494999A1

  公开（公告）日：2019-06-12

  The present disclosure relates to imaging and endoradiotherapy of diseases involving prostate-specific membrane antigen (PSMA). Provided are compounds which bind or inhibit PSMA and furthermore carry at least one moiety which is amenable to radiolabeling. Provided are also medical uses of such compounds.

  本公开涉及涉及前列腺特异性膜抗原（PSMA）相关疾病的成像和内放射治疗。提供了结合或抑制PSMA并且携带至少一个适合于放射标记的基团的化合物。还提供了这类化合物的医疗用途。
• GLYCOSYLATED PSMA INHIBITORS FOR IMAGING AND ENDORADIOTHERAPY
  申请人：Technische Universität München

  公开号：EP3494998A1

  公开（公告）日：2019-06-12

  The present disclosure relates to imaging and endoradiotherapy of diseases involving prostate-specific membrane antigen (PSMA). Provided are compounds which bind or inhibit PSMA and furthermore carry at least one moiety which is amenable to radiolabeling. Provided are also medical uses of such compounds.

  本公开涉及涉及前列腺特异性膜抗原（PSMA）相关疾病的成像和内放射治疗。提供了结合或抑制PSMA并且携带至少一个适合于放射标记的基团的化合物。还提供了这类化合物的医学用途。
• [EN] PSMA LIGANDS FOR IMAGING AND ENDORADIOTHERAPY<br/>[FR] LIGANDS DE PSMA POUR L'IMAGERIE ET L'ENDORADIOTHÉRAPIE
  申请人：UNIV MUENCHEN TECH

  公开号：WO2019115547A1

  公开（公告）日：2019-06-20

  The present disclosure relates to imaging and endoradiotherapy of diseases involving prostate-specific membrane antigen (PSMA). Provided are compounds which bind or inhibit PSMA and furthermore carry at least one moiety which is amenable to radiolabeling. Provided are also medical uses of such compounds.

  本公开涉及涉及前列腺特异性膜抗原（PSMA）相关疾病的成像和内放射治疗。提供了结合或抑制PSMA并且携带至少一个适合于放射标记的基团的化合物。还提供了这类化合物的医疗用途。
• Modular Imaging Agents Containing Amino Acids and Peptides
  申请人：Schmitthenner Hans F.

  公开号：US20150038672A1

  公开（公告）日：2015-02-05

  Targeting agents are derived from coupling together formed imaging amino acids or formed multi-modal, multi-chelating metal, multi-dye imaging agents, or combinations of these, that may be conjugated directly, or activated, or attached to linkers to which targeting groups, such as peptides, proteins, antibodies, aptamers, or small molecule inhibitors, may be conjugated in the final steps of the synthesis to form a wide variety of TMIAs.

  靶向药物是由耦合在一起的成像氨基酸或成型的多模式、多螯合金属、多染料成像剂所衍生的，或者这些的组合，可以直接共轭，或者被激活，或者附着到连接剂上，连接剂上可以连接靶向基团，如肽、蛋白质、抗体、寡核苷酸或小分子抑制剂，在合成的最后步骤中共轭，形成各种各样的TMIAs。