DO3AM(Bu) | 1256503-14-6

• 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: DO3AM(Bu)
• 英文别名: 2-[4-[2-(Butylamino)-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• CAS: 1256503-14-6
• 化学式: C₂₀H₃₇N₅O₇
• 分子量: 459.543
• InChiKey: JXDNJFVWCUWNDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.3
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  154
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以0.55 g的产率得到DO3AM(Bu)
  参考文献：
  名称：

  DOTA和DOTA-单酰胺的镓（III）配合物：动力学和热力学研究

  摘要：

  鉴于68 Ga同位素在正电子发射断层扫描应用中的实际优势，镓络合物在生物医学成像中的重要性日益提高。然而，Ga 3+水解的强烈趋势以及大环配合物的缓慢形成和非常高的稳定性都使Ga 3+配位化学变得困难，并解释了为什么Ga 3+配合物的稳定性和动力学数据相当稀缺。这里，我们报告的Ga溶液和固态研究3+与大环配位1,4,7,10-四- 1,4,7,10-四乙酸，（DOTA）形成的络合物4-，和其单（正丁基酰胺）衍生物（DO3AM Bu）3−。通过细胞外pH电位滴定法确定热力学稳定性常数，log K（GaDOTA）= 26.05和log K（GaDO3AM Bu）= 24.64。由于复合物的形成和解离非常缓慢，因此平衡时间最长需要约4周。在酸性和碱性条件下，均通过71 Ga NMR追踪复合物解离的动力学。所述GaDOTA络合物是显著多种惰性（τ 1/2在pH ~12.2 d = 0和τ 1/2 pH

  DOI：

  10.1021/ic101378s

文献信息

• [EN] HEPARANASE COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS HÉPARANASE ET MÉTHODES D'UTILISATION
  申请人：UNIV FLORIDA

  公开号：WO2020219753A1

  公开（公告）日：2020-10-29

  The invention relates to compounds that interact with heparanase, uses in heparanase screening, uses in in vitro and in vivo imaging (e.g., positron emission tomography (PET) and magnetic resonance imaging (MRI)), methods of synthesis, methods of modulating heparanase activity, and methods of treating disease and disorders associated with heparanase. The compounds of the invention are also useful in treating one or more diseases or disorders associated with the function of heparanase.

  这项发明涉及与肝素酶相互作用的化合物，用于肝素酶筛选，用于体外和体内成像（例如正电子发射断层扫描（PET）和磁共振成像（MRI）），合成方法，调节肝素酶活性的方法，以及治疗与肝素酶相关的疾病和疾病的方法。该发明的化合物还可用于治疗与肝素酶功能相关的一个或多个疾病或疾病。
• [EN] COMPOUNDS USEFUL AS CARBONIC ANHYDRASE MODULATORS AND USES THEREOF<br/>[FR] COMPOSÉS UTILES EN TANT QUE MODULATEURS DE L'ANHYDRASE CARBONIQUE ET LEURS UTILISATIONS
  申请人：SLOAN KETTERING INST CANCER

  公开号：WO2010147666A1

  公开（公告）日：2010-12-23

  Compounds are disclosed that have formula (I'): wherein A, W, Cy1, Cy2, L1, L2, R1 and R2 are as defined herein. The compounds and pharmaceutical compositions thereof are useful as probes and imaging agents for identifying hypoxic tumors, and treatment of a variety of conditions such as cancers involving hypoxic tumors, in mammals including humans, including by way of non-limiting example, and others.

  揭示了具有以下化学式（I'）的化合物：其中A、W、Cy1、Cy2、L1、L2、R1和R2如本文所定义。这些化合物及其制剂可用作探针和成像剂，用于识别缺氧肿瘤，并用于治疗包括缺氧肿瘤在内的多种疾病，包括哺乳动物，包括人类等，例如但不限于此。
• Nanoparticles for magnetic resonance imaging tracking and methods of making and using thereof
  申请人：The Johns Hopkins University

  公开号：US10568975B2

  公开（公告）日：2020-02-25

  Surface conjugated diamagnetic Chemical Exchange Saturation Transfer (diaCEST) agent carriers and methods of making and using are described herein. The particles are safe alternatives to conventional paramagnetic or superparamagnetic metal-based MRI contrast agents that are often toxic and therefore not biocompatible. The carriers described herein can provide simultaneous monitoring of multiple particle types labeled with ‘multicolor’ diaCEST contrast agents. In some embodiments, the carriers are micro- and/or nanoparticles. In other embodiments, the carriers are liposomes. In some embodiments, the particles and/or liposomes are mucus penetrating. In other embodiments, the particles and/or liposomes are not mucus penetrating.

  本文描述了表面共轭二磁性化学交换饱和转移（diaCEST）剂载体及其制造和使用方法。这些粒子是传统顺磁性或超顺磁性金属磁共振成像造影剂的安全替代品，而传统的顺磁性或超顺磁性金属磁共振成像造影剂通常具有毒性，因此不具有生物相容性。本文所述的载体可同时监测多种用 "多色 "DiaCEST 造影剂标记的粒子类型。在某些实施方案中，载体是微型和/或纳米颗粒。在其他实施方案中，载体是脂质体。在某些实施方案中，颗粒和/或脂质体具有粘液穿透性。在其他实施方案中，微粒和/或脂质体不具有粘液穿透性。
• METHODS OF TREATING PROSTATE CANCER WITH ANTI-PROSTATE SPECIFIC MEMBRANE ANTIGEN ANTIBODIES
  申请人：Bander Neil H.

  公开号：US20090280120A1

  公开（公告）日：2009-11-12

  Modified antibodies, or antigen-binding fragments thereof, to the extracellular domain of human prostate specific membrane antigen (PSMA) are provided. The modified anti-PSMA antibodies, or antigen-binding fragments thereof, have been rendered less immunogenic compared to their unmodified counterparts to a given species, e.g., a human. Pharmaceutical compositions including the aforesaid antibodies, nucleic acids, recombinant expression vectors and host cells for making such antibodies and fragments are also disclosed. Methods of using the antibodies of the invention to detect human PSMA, or to ablate or kill a PSMA-expressing cell, e.g., a PSMA-expressing cancer or prostatic cell, either in vitro or in vivo, are also provided.
• Modified Antibodies to Prostate-Specific Membrane Antigen and Uses Thereof
  申请人：Bander Neil

  公开号：US20100278726A1

  公开（公告）日：2010-11-04

  Modified antibodies, or antigen-binding fragments thereof, to the extracellular domain of human prostate specific membrane antigen (PSMA) are provided. The modified anti-PSMA antibodies, or antigen-binding fragments thereof, have been rendered less immunogenic compared to their unmodified counterparts to a given species, e.g., a human. Pharmaceutical compositions including the aforesaid antibodies, nucleic acids, recombinant expression vectors and host cells for making such antibodies and fragments are also disclosed. Methods of using the antibodies of the invention to detect human PSMA, or to ablate or kill a PSMA-expressing cell, e.g., a PSMA-expressing cancer or prostatic cell, either in vitro or in vivo, are also provided.