2,2'-[1,2-乙烷二基二({[3-羟基-5-(羟基甲基)-2-甲基-4-吡啶基]甲基}亚氨基)]二乙酸 | 88969-06-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2,2'-[1,2-乙烷二基二({[3-羟基-5-(羟基甲基)-2-甲基-4-吡啶基]甲基}亚氨基)]二乙酸
• 中文别名: 苯酰胺,2-溴-N-[2-[(2,6-二甲基苯基)氨基]-1,1-二甲基-2-羰基乙基]-N-(4-甲氧苯基)-
• 英文名称: N,N'-Dipyridoxylethylenediamine-N,N'-diacetic acid
• 英文别名: 2-[2-[carboxymethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]amino]ethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]amino]acetic acid
• CAS: 88969-06-6
• 化学式: C₂₂H₃₀N₄O₈
• 分子量: 478.5
• InChiKey: RICKKZXCGCSLIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.9
• 重原子数：
  34
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  188
• 氢给体数：
  6
• 氢受体数：
  12

文献信息

• [EN] CALMANGAFODIPIR, A NEW CHEMICAL ENTITY, AND OTHER MIXED METAL COMPLEXES, METHODS OF PREPARATION, COMPOSITIONS, AND METHODS OF TREATMENT<br/>[FR] CALMANGAFODIPIR, NOUVELLE ENTITÉ CHIMIQUE, ET AUTRES COMPLEXES MÉTALLIQUES MIXTES, PROCÉDÉS DE PRÉPARATION, COMPOSITIONS ET PROCÉDÉS DE TRAITEMENT
  申请人：PLEDPHARMA AB

  公开号：WO2013102806A1

  公开（公告）日：2013-07-11

  A mixed metal complex of a compound of Formula I, or a salt thereof, wherein the mixed metals comprise a Group III-XII transition metal and a Group II metal: (Formula I) (I) wherein X, R1, R2, R3, and R4 are as defined herein, is produced in a one step crystallization from a solution of the Group III-XII transition metal, the Group II metal, and a compound of Formula I. Methods for treatment of a pathological condition in a patient, for example, a pathological condition caused by the presence of oxygen-derived free radicals, comprises administering the mixed metal complex to the patient.

  一种混合金属配合物，其由公式I的化合物或其盐组成，其中混合金属包括III-XII族过渡金属和II族金属：（公式I）（I）其中X，R1，R2，R3和R4如本文所定义，通过从III-XII族过渡金属，II族金属和公式I的化合物的溶液中进行一步结晶来制备。治疗患者的病理状况的方法，例如由氧衍生自由基存在引起的病理状况，包括向患者注射混合金属配合物。
• [EN] SMALL MOLECULE ALBUMIN BINDERS<br/>[FR] LIANTS D'ALBUMINE À PETITES MOLÉCULES
  申请人：UNIV OREGON HEALTH & SCIENCE

  公开号：WO2022040607A1

  公开（公告）日：2022-02-24

  Compounds are described having albumin binding groups, where said compounds can be complexed with therapeutic and/or diagnostic agents and further can include targeting functionality. When introduced into the circulatory system the compounds and complexes bind serum albumin, and thereby exhibit useful properties including enhanced circulatory half-life, improved uptake by target tissues, and improved target/nontarget ratios. These properties make the compounds and complexes useful in therapeutic and diagnostic methods.

  描述了具有白蛋白结合基团的化合物，这些化合物可以与治疗和/或诊断剂形成复合物，并且可以包括靶向功能。当引入循环系统中时，这些化合物和复合物会结合血清白蛋白，从而表现出有用的特性，包括增强的循环半衰期、靶组织的摄取率提高以及改善的靶/非靶比率。这些特性使得这些化合物和复合物在治疗和诊断方法中非常有用。
• Radioactive metal chelates of dipyridoxyl phosphate
  申请人：NYCOMED SALUTAR, INC.

  公开号：EP0290041A2

  公开（公告）日：1988-11-09

  Radioactive metal ion chelates of N,N-bis-(pyridoxal-5-phosphate)-alkylenediamine-N,N'-diacetic acids, N ,N'-bis-(pyridoxal-5-phosphate)-1,2-cycloalkylenediamine-N,N'-diacetic acids, and N,N -bis-(pyridoxal-5-phosphate)-1,2-aryienediamine-N,N -diacetic acids, the corresponding monophosphate compounds and monoacetic acid compounds, and their salts and esters form stable, highly soluble chelates with paramagnetic metal ions, and are highly effective agents for radiopharmaceutical imaging. Preferred contrast agents are radioactive metal ion such as technetium-99m and indium-111 ion chelates of N,N'-bis-(pyridoxal-5-phosphate)ethylenediamine-N,N-diacetic acid, N,N'-bis-(pyridoxal-5-phosphate)trans-1,2-cyclohexylenediamine-N,N'-diacetic acid, N,N'-bis-(pyridoxal-5-phosphate)trans-1,2-arylenediamine-N,N'-diacetic acid, and the soluble calcium salts thereof.

  N,N-双-(吡哆醛-5-磷酸)-烷基二胺-N,N'-二乙酸、N,N'-双-(吡哆醛-5-磷酸)-1,2-环烷基二胺-N,N'-二乙酸、N,N-双-(吡哆醛-5-磷酸)-1,2-芳二胺-N,N'-二乙酸的放射性金属离子螯合物、相应的单磷酸盐化合物和单乙酸化合物及其盐和酯与顺磁性金属离子形成稳定的高溶解性螯合物、N-二乙酸、相应的单磷酸化合物和单乙酸化合物及其盐和酯与顺磁性金属离子形成稳定、高溶解度的螯合物，是放射性药物成像的高效制剂。首选的造影剂是放射性金属离子，如 N,N'-双（吡哆醛-5-磷酸）乙二胺-N,N-二乙酸、N、N,N'-双-(5-磷酸吡哆醛)反式-1,2-环己二胺-N,N'-二乙酸、N,N'-双-(5-磷酸吡哆醛)反式-1,2-芳二胺-N,N'-二乙酸及其可溶性钙盐。
• Methods and materials for the preparation of metal labelled antibody solutions
  申请人：ABBOTT LABORATORIES

  公开号：EP0315188A2

  公开（公告）日：1989-05-10

  The present invention provides a metal ion scavenging procedure and antibody compositions for radioimmunoscintigraphy and cytotoxic radioimmunotherapy having chelator concentrations of greater than about 10⁻⁴ M which are optimized with respect to their metal binding capacity such that highly efficient labelling of the antibody is achieved in a simple one step procedure using readily available sources of radiometal ions.

  本发明提供了一种金属离子清除程序和用于放射免疫镜成像和细胞毒性放射免疫疗法的抗体组合物，其螯合剂浓度大于约 10-⁴ M，在金属结合能力方面进行了优化，这样就可以使用现成的放射性金属离子源，通过简单的一步程序实现抗体的高效标记。
• Calmangafodipir, a new chemical entity, and other mixed metal complexes, methods of preparation, compositions, and methods of treatment
  申请人：PledPharma AB

  公开号：US10111893B2

  公开（公告）日：2018-10-30

  Methods for treatment of a pathological condition caused by oxidative stress in a patient comprise administering to the patient a mixed metal complex of a compound of Formula I, or a salt thereof, in an amount effective to reduce the oxidative stress. Pharmaceutical compositions are formed by suspending or dissolving a mixed metal complex of a compound of Formula I, or a salt thereof, in a liquid medium, optionally with one or more physiologically acceptable excipients. The mixed metals comprise calcium and manganese in a molar ratio of calcium to manganese in the range of 1-10: wherein X, R1, R2, R3, and R4 are as defined herein.

  治疗由患者体内氧化应激引起的病理状态的方法包括向患者施用式 I 化合物或其盐的混合金属络合物，其用量应能有效降低氧化应激。药物组合物是通过将式 I 化合物或其盐的混合金属复合物悬浮或溶解在液体介质中形成的，可选择加入一种或多种生理上可接受的赋形剂。混合金属包括钙和锰，钙和锰的摩尔比在 1-10 之间： 其中 X、R1、R2、R3 和 R4 如本文所定义。