10-[(4R)-7-(2,5-dioxo-1-pyrrolidinyl)oxy-2,2-dimethyl-3,7-dioxo-2-oxyept-4-yl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic tris [(1,1-dimethyl)ethyl] ester | 1393934-03-6

• 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: 10-[(4R)-7-(2,5-dioxo-1-pyrrolidinyl)oxy-2,2-dimethyl-3,7-dioxo-2-oxyept-4-yl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic tris [(1,1-dimethyl)ethyl] ester
• 英文别名: DOTAGA(^tBu)₄ NHS ester；1-O-tert-butyl 5-O-(2,5-dioxopyrrolidin-1-yl) 2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]pentanedioate
• CAS: 1393934-03-6
• 化学式: C₃₉H₆₇N₅O₁₂
• 分子量: 797.987
• InChiKey: NLGIXFBISWGAKZ-UHFFFAOYSA-N

物化性质

• 沸点：
  761.0±70.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  56
• 可旋转键数：
  21
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  182
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  10-[(4R)-7-(2,5-dioxo-1-pyrrolidinyl)oxy-2,2-dimethyl-3,7-dioxo-2-oxyept-4-yl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic tris [(1,1-dimethyl)ethyl] ester 在 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 72.0h， 生成 10-[(15)-1-carboxy-4-oxo-4-(didecylamino)but-1-yl]-1,4,7,10-tetraazacyclododecane-1 ,4,7-triacetic acid
  参考文献：
  名称：

  [EN] PARAMAGNETIC SOLID LIPID NANOPARTICLES (PSLNS) CONTAINING METAL AMPHIPHILIC COMPLEXES FOR MRI.
  [FR] NANOPARTICULES LIPIDIQUES SOLIDES PARAMAGNÉTIQUES (PSLN) CONTENANT DES COMPLEXES AMPHIPHILES MÉTALLIQUES POUR IMAGERIE PAR RÉSONANCE MAGNÉTIQUE (IRM)

  摘要：

  公开号：

  WO2014037498A3
• 作为产物：
  描述：

  N-羟基丁二酰亚胺 、 DOTAGA-四叔丁酯 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以77.4%的产率得到10-[(4R)-7-(2,5-dioxo-1-pyrrolidinyl)oxy-2,2-dimethyl-3,7-dioxo-2-oxyept-4-yl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic tris [(1,1-dimethyl)ethyl] ester
  参考文献：
  名称：

  GdDOTAGA(C₁₈)₂: an efficient amphiphilic Gd(iii) chelate for the preparation of self-assembled high relaxivity MRI nanoprobes

  摘要：

  使用新合成的两性GdDOTA类化合物制备的MRI-纳米探针，具有改善的松弛度、稳定性和体内MRI效率。

  DOI：

  10.1039/c5cc06032j

文献信息

• [EN] THERAPEUTIC CONJUGATES<br/>[FR] CONJUGUÉS THÉRAPEUTIQUES
  申请人：STARPHARMA PTY LTD

  公开号：WO2021243415A1

  公开（公告）日：2021-12-09

  Provided herein is dendrimer-targeting agent conjugate comprising: (a) a dendrimer comprising i) a core unit (C); and ii) building units (BU), wherein the dendrimer has from two to six generations of building units; and wherein the core unit is covalently attached to at least two building units; and the dendrimer further comprising: b) a targeting agent which is covalently linked to the dendrimer by a spacer group; c) one or more first terminal groups attached to an outermost building unit of the dendrimer, wherein the first terminal group comprises a complexation group for complexing a radionuclide; and d) one or more second terminal groups attached to an outermost building unit of the dendrimer, wherein the second terminal group comprises a pharmacokinetic-modifying moiety, or a salt thereof. Also provided are compositions comprising the dendrimer-targeting agent conjugates, and methods of using the dendrimer-targeting agent conjugates and compositions comprising them in therapeutic and imaging applications.

  本文提供了一种树状分子靶向药物复合物，包括：(a)一种树状分子，包括i)一个核心单元(C)；和ii)构建单元(BU)，其中该树状分子具有从两个到六个代的构建单元；核心单元与至少两个构建单元共价连接；该树状分子还包括：(b)一种靶向药物，通过一个空间基团与树状分子共价连接；(c)一个或多个第一端基团，连接在树状分子的最外层构建单元上，其中第一端基团包括一个络合基团，用于络合放射性核素；(d)一个或多个第二端基团，连接在树状分子的最外层构建单元上，其中第二端基团包括一个药代动力学修饰基团或其盐。还提供了包括该树状分子靶向药物复合物的组合物，以及使用该树状分子靶向药物复合物和组合物在治疗和成像应用中的方法。
• [EN] HETEROBIVALENT AND HOMOBIVALENT AGENTS TARGETING FIBROBLAST ACTIVATION PROTEIN ALPHA AND/OR PROSTATE-SPECIFIC MEMBRANE ANTIGEN<br/>[FR] AGENTS HÉTÉROBIVALENTS ET HOMOBIVALENTS CIBLANT L'ANTIGÈNE MEMBRANAIRE SPÉCIFIQUE DE LA PROTÉINE D'ACTIVATION DES FIBROBLASTES ET/OU DE LA MEMBRANE SPÉCIFIQUE DE LA PROSTATE
  申请人：UNIV JOHNS HOPKINS

  公开号：WO2022212958A1

  公开（公告）日：2022-10-06

  Imaging and radiotherapeutic agents targeting fibroblast-activation protein-α (FAP-α) and/or prostate-specific membrane antigen (PSMA) and their use in imaging and treating FAP-α and/or PSMA-related diseases and disorders are disclosed.

  本发明揭示了针对成纤维细胞激活蛋白-α（FAP-α）和/或前列腺特异性膜抗原（PSMA）的成像和放射治疗剂，并且揭示了这些成像和治疗剂在成像和治疗与FAP-α和/或PSMA相关的疾病和障碍中的使用。
• Synthesis and characterization of αvβ3-targeting peptidomimetic chelate conjugates for PET and SPECT imaging
  作者：Young-Seung Kim、Kido Nwe、Diane E. Milenic、Martin W. Brechbiel、Stanley Satz、Kwamena E. Baidoo

  DOI：10.1016/j.bmcl.2012.07.024

  日期：2012.9

  There is growing interest in small peptidomimetic alpha(v)beta(3) integrin antagonists that are readily synthesized and characterized and can be easily handled using physiological conditions. Peptidomimetic 4-[2-(3,4,5,6-tetrahydropyrimidine-2-ylamino)ethyloxy]benzoyl-2-[N-(3-amino-neopenta-1-carbamyl)] -aminoethylsulfonyl-amino-beta-alanine (IAC) was successfully conjugated to 1-(1-carboxy-3-carbo-t-but-oxypropyl)-4,7-(carbo-tert-butoxymethyl)-1,4,7-triazacyclononane (NODA-GA(tBu)(3)) and 1-(1-carboxy-3-carbotertbutoxymethyl)-1,4,7,10-tetraazacyclododecane (DOTA-GA(tBu)(4)) and radiolabeled with In-111, Ga-67 and Pb-203. Results of a radioimmunoassay demonstrated binding to purified alpha(v)beta(3) integrin when 14 equiv of integrin were added to the reaction. Based on this promising result, investigations are moving forward to evaluate the NODA-GA-IAC and DOTA-GA-IAC conjugates for targeting tumor associated angiogenesis and alpha(v)beta(3) integrin positive tumors to define their PET and SPECT imaging qualities as well as their potential for delivery of therapeutic radionuclides. Published by Elsevier Ltd.
• WO2022/241470
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] PARAMAGNETIC SOLID LIPID NANOPARTICLES (PSLNS) CONTAINING METAL AMPHIPHILIC COMPLEXES FOR MRI.<br/>[FR] NANOPARTICULES LIPIDIQUES SOLIDES PARAMAGNÉTIQUES (PSLN) CONTENANT DES COMPLEXES AMPHIPHILES MÉTALLIQUES POUR IMAGERIE PAR RÉSONANCE MAGNÉTIQUE (IRM)
  申请人：BRACCO IMAGING SPA

  公开号：WO2014037498A3

  公开（公告）日：2014-07-24