2-(S)-(p-aminobenzyl)-1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid | 181065-46-3

• 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
• 英文名称: 2-(S)-(p-aminobenzyl)-1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid
• 英文别名: para-Aminobenzyl-DOTA；2-[(6S)-6-[(4-aminophenyl)methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• CAS: 181065-46-3
• 化学式: C₂₃H₃₅N₅O₈
• 分子量: 509.56
• InChiKey: VEYDUAGNNSZVTN-IBGZPJMESA-N

物化性质

• 沸点：
  809.0±65.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -9.2
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  188
• 氢给体数：
  5
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  2-(S)-(p-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid tetrabenzyl ester 在 5% Pd(II)/C(eggshell) 、 氢气 作用下， 以 甲醇 、 水 为溶剂， 以90%的产率得到2-(S)-(p-aminobenzyl)-1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid
  参考文献：
  名称：

  Synthesis, in vitro progesterone receptors affinity of gadolinium containing mifepristone conjugates and estimation of binding sites in human breast cancer cells

  摘要：

  Novel gadolinium-based mifepristone conjugates were synthesised using various synthetic routes. Moderate antiprogestagenic activity of the new conjugates was observed in human breast cancer cells (T47-D cells) using AP (alkaline phosphatase) assay. The amount of incorporated Gd determined by inductively coupled plasma mass spectroscopy (ICPMS) indicates the number of binding sites per cell. These conjugates might be important compounds to develop receptor-targeted MRI contrast agents as well as other anti-breast cancer therapeutics. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.01.048

文献信息

• Radiolabeled GRPR-antagonists for diagnostic imaging and treatment of GRPR-positive cancer
  申请人：Advanced Accelerator Applications International SA

  公开号：US11083805B2

  公开（公告）日：2021-08-10

  The present invention relates to probes for use in the detection, imaging, diagnosis, targeting, treatment, etc. of cancers expressing the gastrin releasing peptide receptor (GRPR). For example, such probes may be molecules conjugated to detectable labels which are preferably moieties suitable for detection by gamma imaging and SPECT or by positron emission tomography (PET) or magnetic resonance imaging (MRI) or fluorescence spectroscopy or optical imaging methods.

  本发明涉及用于表达胃泌素释放肽受体（GRPR）的癌症的检测、成像、诊断、靶向、治疗等的探针。例如，这种探针可以是与可检测标签连接的分子，这些标签最好是适合通过伽马成像和 SPECT 或正电子发射断层扫描（PET）或磁共振成像（MRI）或荧光光谱或光学成像方法进行检测的分子。
• GRPR-ANTAGONISTS FOR DETECTION, DIAGNOSIS AND TREATMENT OF GRPR-POSITIVE CANCER
  申请人：Advanced Accelerator Applications USA, Inc.

  公开号：EP2900279B1

  公开（公告）日：2019-08-14
• Radiolabeled GRPR-Antagonists For Diagnostic Imaging and Treatment of GRPR-Positive Cancer
  申请人：Advanced Accelerator Applications USA, Inc.

  公开号：US20180133349A1

  公开（公告）日：2018-05-17

  The present invention relates to probes for use in the detection, imaging, diagnosis, targeting, treatment, etc. of cancers expressing the gastrin releasing peptide receptor (GRPR). For example, such probes may be molecules conjugated to detectable labels which are preferably moieties suitable for detection by gamma imaging and SPECT or by positron emission tomography (PET) or magnetic resonance imaging (MRI) or fluorescence spectroscopy or optical imaging methods.
• Radiolabeled GRPR-Antagonists for Diagnostic Imaging and Treatment of GRPR-Positive Cancer
  申请人：Advanced Accelerator Applications International SA

  公开号：US20210346528A1

  公开（公告）日：2021-11-11

  The present invention relates to probes for use in the detection, imaging, diagnosis, targeting, treatment, etc. of cancers expressing the gastrin releasing peptide receptor (GRPR). For example, such probes may be molecules conjugated to detectable labels which are preferably moieties suitable for detection by gamma imaging and SPECT or by positron emission tomography (PET) or magnetic resonance imaging (MRI) or fluorescence spectroscopy or optical imaging methods.
• Pharmaceutical Composition Comprising a Radiolabeled GRPR Antagonist and a Surfactant
  申请人：Advanced Accelerator Applications International SA

  公开号：US20220008566A1

  公开（公告）日：2022-01-13

  The present disclosure relates to gastrin-releasing peptide receptor (GRPR) targeting radiopharmaceuticals and uses thereof. In particular, the present disclosure relates to a pharmaceutical composition comprising radiolabeled GRPR-antagonist and a surfactant. The present disclosure also relates to radiolabeled GRPR-antagonist for use in treating or preventing a cancer.