2-[4-(Carboxymethyl)-7-ethyl-1,4,7-triazonan-1-yl]acetic acid

• 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-[4-(Carboxymethyl)-7-ethyl-1,4,7-triazonan-1-yl]acetic acid
• 英文别名: 2-[4-(carboxymethyl)-7-ethyl-1,4,7-triazonan-1-yl]acetic acid
• 化学式: C₁₂H₂₃N₃O₄
• 分子量: 273.33
• InChiKey: VODXILPELQVWEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.9
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  84.3
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• PSMA-TARGETING COMPOUNDS AND USES THEREOF
  申请人：THE JOHNS HOPKINS UNIVERSITY

  公开号：US20150104387A1

  公开（公告）日：2015-04-16

  Prostate-specific membrane antigen (PSMA) targeting compounds are described. Uses of the compounds for imaging, therapy, cell sorting, and tumor mapping are also described.

  本文描述了针对前列腺特异性膜抗原（PSMA）的靶向化合物，以及这些化合物在成像、治疗、细胞分选和肿瘤定位方面的应用。
• Chemical conjugates of evans blue derivatives and their use as radiotherapy and imaging agents
  申请人：THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

  公开号：US10696631B2

  公开（公告）日：2020-06-30

  The present invention is directed to a compound of Formula I or Formula III or a pharmaceutically acceptable ester, amide, solvate, or salt thereof, or a salt of such an ester or amide or a solvate of such an ester amide or salt: wherein the definitions R1-R13 and L1-L4 are provided in the disclosure, and wherein R14 is a peptide. The compounds of Formula I may be covalently bonded to a peptide via a linker to provide a compound of Formula III and thereby extend the half-life of the therapeutic compound. The invention is also directed to pharmaceutical compositions of the disclosed compounds, as well as their use in the diagnosis or treatment of diseases.

  本发明涉及式Ⅰ或式Ⅲ化合物或其药学上可接受的酯、酰胺、溶液或盐，或这种酯或酰胺的盐或这种酯酰胺或盐的溶液：其中R1-R13和L1-L4的定义已在公开资料中提供，R14是肽。式 I 的化合物可通过连接剂与肽共价键合，以提供式 III 的化合物，从而延长治疗化合物的半衰期。本发明还涉及所公开化合物的药物组合物及其在疾病诊断或治疗中的用途。
• Compounds, compositions and associated methods using zirconium-89 in immuno-positron emission tomography
  申请人：Wake Forest University

  公开号：US10758634B2

  公开（公告）日：2020-09-01

  Disclosed are novel compounds, complexes, compositions and methods using Zirconium-89 combined with azamacrocyclic chelators in connection with PET. The compositions and methods should provide better diagnostic, prognostic and therapeutic oncology treatments relative to the presently available chelator compositions due to a variety of superior properties of the disclosed compositions. The present invention also relates to a superior method of making these compounds, complexes, compositions that allows one to make compounds/complexes (and thus, compositions) that were previously unattainable.

  所公开的是将锆-89 与氮杂环螯合剂结合用于 PET 的新型化合物、复合物、组合物和方法。与目前可用的螯合剂组合物相比，本发明的组合物和方法应能提供更好的肿瘤诊断、预后和治疗效果，因为本发明所公开的组合物具有多种优异特性。本发明还涉及一种制造这些化合物、复合物、组合物的优越方法，该方法可使人们制造出以前无法制造的化合物/复合物（以及组合物）。
• Chemical conjugates of Evans Blue derivatives and their use as radiotherapy and imaging agents
  申请人：THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

  公开号：US10981866B2

  公开（公告）日：2021-04-20

  The present invention is directed to a compound of Formula III or a pharmaceutically acceptable ester, amide, solvate, or salt thereof, or a salt of such an ester or amide or a solvate of such an ester amide or salt: Formula III wherein the definitions of R1-R12 and L1-L4 are provided in the disclosure, wherein R13 is a chelating group comprising 177Lu, and wherein R14 is a peptide. The compounds of Formula I may be covalently bonded to a peptide via a linker to provide a compound of Formula III and thereby extend the half-life of the therapeutic compound. The invention is also directed to pharmaceutical compositions of the disclosed compounds, as well as their use in the diagnosis or treatment of diseases.

  本发明涉及一种式 III 的化合物或其药学上可接受的酯、酰胺、溶液或盐，或这种酯或酰胺的盐或这种酯酰胺或盐的溶液：式 III 其中 R1-R12 和 L1-L4 的定义已在公开资料中提供，R13 是包含 177Lu 的螯合基团，R14 是肽。式 I 的化合物可通过连接体与肽共价键合，以提供式 III 的化合物，从而延长治疗化合物的半衰期。本发明还涉及所公开化合物的药物组合物及其在疾病诊断或治疗中的用途。
• [EN] RADIONUCLIDE LABEL AND USE THEREOF<br/>[FR] MARQUEUR À RADIONUCLÉIDE ET SON UTILISATION<br/>[ZH] 一种放射性核素标记物及其应用
  申请人：BEIJING TUO JIE BIOPHARMACEUTICAL CO LTD

  公开号：WO2022002022A1

  公开（公告）日：2022-01-06

  一种式（I）所示的化合物，或其可用药盐，或其对映异构体、非对映异构体或其氘元素取代物；该化合物通过与放射性核素络合，可以与肿瘤中高表达的生长抑素受体（SSTR）结合，能够高选择性地定位到SSTR阳性的肿瘤组织中，达到疾病靶向诊断和治疗的目的。