{7-[2-bis-(carboxymethyl)-aminoethyl]-4,10-bis-(carboxymethyl)-1,4,7,10-tetraazacyclo-dodec-1-yl}-acetic acid | 1093632-54-2

• 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: {7-[2-bis-(carboxymethyl)-aminoethyl]-4,10-bis-(carboxymethyl)-1,4,7,10-tetraazacyclo-dodec-1-yl}-acetic acid
• 英文别名: DEPA；2-[4-[2-[Bis(carboxymethyl)amino]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• CAS: 1093632-54-2
• 化学式: C₂₀H₃₅N₅O₁₀
• 分子量: 505.525
• InChiKey: HOFAGEWOGCQDAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.2
• 重原子数：
  35
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  203
• 氢给体数：
  5
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  tert-butyl {7-[2-(bis-benzyloxycarbonylmethyl-amino)-ethyl]-4,10-bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraaza-cyclododec-1-yl}-acetate 在 盐酸 作用下， 以 水 为溶剂， 反应 5.0h， 以89%的产率得到{7-[2-bis-(carboxymethyl)-aminoethyl]-4,10-bis-(carboxymethyl)-1,4,7,10-tetraazacyclo-dodec-1-yl}-acetic acid
  参考文献：
  名称：

  Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using

  摘要：

  用带有氨基或羟基的1,4,7-三氮杂环壬烷-N,N′,N″-三乙酸和1,4,7,10-四氮杂环十二烷-N,N′,N″,N′″-四乙酸化合物替代，以及它们的金属配合物、组合物、制备方法以及在诊断成像和治疗细胞疾病中的应用。

  公开号：

  US09115094B2

文献信息

• MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER
  申请人：Cornell University

  公开号：US20200157087A1

  公开（公告）日：2020-05-21

  The present technology provides compounds as well as compositions including such compounds useful in targeted radiotherapy of cancer and/or mammalian tissue overexpressing prostate specific membrane antigen (“PSMA”) where the compounds are represented by the following: or a pharmaceutically acceptable salt thereof, or a pharmaceutically acceptable salt thereof, or a pharmaceutically acceptable salt thereof, wherein M 1 is independently at each occurrence an alpha-emitting radionuclide. Equivalents of such compounds are also disclosed.

  当前技术提供了化合物以及包括这些化合物的组合物，这些化合物在针对过表达前列腺特异性膜抗原（“PSMA”）的癌症和/或哺乳动物组织的靶向放射治疗中有用，其中这些化合物由以下表示：或其药用可接受盐，或其药用可接受盐，或其药用可接受盐，其中M1在每次出现时独立地是一个α放射性核素。还披露了这些化合物的等效物。
• BIMODAL LIGANDS WITH MACROCYCLIC AND ACYCLIC BINDING MOIETIES, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING
  申请人：Chong Hyun-Soon

  公开号：US20160052894A1

  公开（公告）日：2016-02-25

  Substituted 1,4,7-triazacyclononane-N,N′,N″-triacetic acid and 1,4,7,10-tetraazacycicododecane-N,N′,N″,N′″-tetraacetic acid compounds with a pendant amino or hydroxyl group, metal complexes thereof, compositions thereof, and methods of making and use in diagnostic imaging and treatment of cellular disorders.

  替代了带有氨基或羟基侧链的1,4,7-三氮杂环壬烷-N，N'，N''-三乙酸和1,4,7,10-四氮杂环十二烷-N，N'，N''，N'''-四乙酸化合物，其金属配合物，组合物以及制备和在诊断成像和治疗细胞疾病中的使用方法。
• Synthesis of therapeutic and diagnostic drugs centered on regioselective and stereoselective ring opening of aziridinium ions
  申请人：Chong Hyun-Soon

  公开号：US10189803B2

  公开（公告）日：2019-01-29

  Stereoselective and regioselective synthesis of compounds via nucleophilic ring opening reactions of aziridinium ions for use in stereoselective and regioselective synthesis of therapeutic and diagnostic compounds.

  通过氮丙啶离子的亲核开环反应立体选择性和区域选择性合成化合物，用于治疗和诊断化合物的立体选择性和区域选择性合成。
• Trifunctional constructs with tunable pharmacokinetics useful in imaging and anti-tumor therapies
  申请人：Cornell University

  公开号：US10806806B2

  公开（公告）日：2020-10-20

  The present technology provides compounds, as well as compositions including such compounds, useful for imaging and/or treatment of a glioma, a breast cancer, an adrenal cortical cancer, a cervical carcinoma, a vulvar carcinoma, an endometrial carcinoma, a primary ovarian carcinoma, a metastatic ovarian carcinoma, a non-small cell lung cancer, a small cell lung cancer, a bladder cancer, a colon cancer, a primary, gastric adenocarcinoma, a primary colorectal adenocarcinoma, a renal cell carcinoma, and/or a prostate cancer.

  本技术提供了可用于胶质瘤、乳腺癌、肾上腺皮质癌、宫颈癌、外阴癌、子宫内膜癌、原发性卵巢癌、转移性卵巢癌、非小细胞肺癌、小细胞肺癌、膀胱癌、结肠癌、原发性胃腺癌的成像和/或治疗的化合物以及包括此类化合物的组合物、 原发性卵巢癌、转移性卵巢癌、非小细胞肺癌、小细胞肺癌、膀胱癌、结肠癌、原发性胃腺癌、原发性结直肠腺癌、肾细胞癌和/或前列腺癌。
• Synthesis and biological evaluation of a novel decadentate ligand DEPA
  作者：Hyun-Soon Chong、Sooyoun Lim、Kwamena E. Baidoo、Diane E. Milenic、Xiang Ma、Fang Jia、Hyun A. Song、Martin W. Brechbiel、Michael R. Lewis

  DOI：10.1016/j.bmcl.2008.09.063

  日期：2008.11

  An efficient and short synthetic route to a novel decadentate ligand 7-[2-(bis-carboxymethyl-amino)-ethyl]-4,10-bis-carboxymethyl-1,4,7,10-tetraaza-cyclododec-1-yl-acetic acid (DEPA) with both macrocyclic and acyclic binding moieties is reported. A reproducible and scalable synthetic method to a precursor molecule of DEPA, 1,4,7-tris(tert-butoxycarbonylmethyl) tetraazacyclododecane was developed. DEPA was evaluated as a chelator of (177)Lu, (212)Bi, and (213)Bi for potential use in an antibody-targeted cancer therapy, radioimmunotherapy (RIT) using Arsenazo III based spectroscopic complexation kinetics, in vitro serum stability, and in vivo biodistribution studies. (C) 2008 Published by Elsevier Ltd.