4-溴乙酰氨基苄基-乙二胺四乙酸 | 81677-64-7

• 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
• 中文名称: 4-溴乙酰氨基苄基-乙二胺四乙酸
• 中文别名: 2-二氢吲哚羧酸,1-亚硝基-,甲基酯,(S)-(-)-(8CI)；(S)-1-(对溴乙酰氨基苄基)乙二胺四乙酸
• 英文名称: (S)-<<1-<methyl>-2-<4-<(2-bromoacetyl)amino>phenyl>ethyl>(carboxymethyl)amino>acetic acid
• 英文别名: BABE；N-4-(2,3-Bis(bis(carboxymethyl)amino)propyl)phenyl bromoacetamide；2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-[(2-bromoacetyl)amino]phenyl]propyl]-(carboxymethyl)amino]acetic acid
• CAS: 81677-64-7
• 化学式: C₁₉H₂₄BrN₃O₉
• 分子量: 518.318
• InChiKey: VOQPQBGCWBEYEV-AWEZNQCLSA-N

物化性质

• 熔点：
  112-114°C
• 溶解度：
  甲醇（微溶、加热）、水（微溶、加热、超声处理）

计算性质

• 辛醇/水分配系数(LogP)：
  -3.9
• 重原子数：
  32
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  185
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  (S)-<<1-<amino>methyl>-2-<4-<(2-bromoacetyl)amino>phenyl>ethyl><(tert-butoxycarbonyl)methyl>amino>acetic acid tert-butyl ester 在 三氟乙酸 作用下， 反应 15.0h， 以100%的产率得到4-溴乙酰氨基苄基-乙二胺四乙酸
  参考文献：
  名称：

  Convenient Syntheses of Bifunctional Metal Chelates

  摘要：

  DOI：

  10.1021/jo00117a056

文献信息

• Novel chelating agents and conjugates thereof, their synthesis and use as diagnois and therapeutic agents
  申请人：——

  公开号：US20040167330A1

  公开（公告）日：2004-08-26

  The present invention relates to novel bifunctional chelates that are based on asymmetrical cyclen derivatives. The chelates contain either three acetates and one methylphosphonic arm or three acetates and one methylphosphonic arm enabling to link the chelate through P-alkyl within phosphoric acid derivative or through P—O-alkyl within phosphonic derivative to any organic back-bone suited for targeting. Suitable targeting moieties are monoclonal antibodies, their fragments and recombinant derivatives such as single chain antibodies, diabodies, triabodies, humanized, human or chimeric variants but also peptides, aptamers, spiegelmers, nucleotides, anti sense oligomers and conventional small molecules. These novel bifunctional chelates are suited for the production of kits for the routine labelling of targeting moieties to be used in radiotherapy with radiometals such as Yttrium-90, or for Magnetic Resonance Imagining (MRI) using Gadolinium.

  本发明涉及基于不对称环烯衍生物的新型双功能螯合物。这些螯合物含有三个乙酸酯和一个甲基膦酸臂，或三个乙酸酯和一个甲基膦酸臂，从而能够通过磷酸衍生物中的 P-烷基或膦酸衍生物中的 P-O 烷基将螯合物与任何适合靶向的有机骨架连接起来。合适的靶向分子包括单克隆抗体、其片段和重组衍生物，如单链抗体、二抗体、三抗体、人源化、人源化或嵌合变体，也包括肽、aptamers、spiegelmers、核苷酸、反义寡聚体和传统小分子。这些新型双功能螯合物适用于生产试剂盒，用于对放射治疗中使用的放射性同位素（如钇-90）或磁共振成像（MRI）中使用的钆进行常规靶标标记。
• NOVEL CHELATING AGENTS AND CONJUGATES THEREOF, THEIR SYNTHESIS AND USE AS DIAGNOSTIC AND THERAPEUTIC AGENTS
  申请人：Therpharm GmbH

  公开号：EP1406879A1

  公开（公告）日：2004-04-14
• PRODUCTS AND METHODS FOR TISSUE PRESERVATION
  申请人：Genvault Corporation

  公开号：EP2561334A1

  公开（公告）日：2013-02-27
• CHELATOR-COATED FIELD EFFECT TRANSISTOR AND DEVICES AND METHODS USING SAME
  申请人：Autonomous Medical Devices Incorporated

  公开号：EP3837541A1

  公开（公告）日：2021-06-23
• Chelator-Coated Field Effect Transistor and Devices and Methods Using Same
  申请人：SENSOR-KINESIS CORPORATION

  公开号：US20210293798A1

  公开（公告）日：2021-09-23

  The disclosure relates to a Field Effect Transistor comprising a chelator or derivatized chelator, a device for detecting a marker in a sample comprising said sensor, a method for detecting metal ions in a sample comprising said sensor or device and a sensor and method for detecting a marker in a sample.