2-[2-[Bis(carboxymethyl)amino]ethyl-[2-[[2-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methoxy]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid | 1017967-81-5

• 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: 2-[2-[Bis(carboxymethyl)amino]ethyl-[2-[[2-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methoxy]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
• CAS: 1017967-81-5
• 化学式: C₇₇H₁₂₅N₃O₃₆
• 分子量: 1668.84
• InChiKey: RESJDYDCPUDMJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.6
• 重原子数：
  116
• 可旋转键数：
  85
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  425
• 氢给体数：
  4
• 氢受体数：
  39

反应信息

• 作为反应物：
  描述：

  sodium [99Tc]pertechnetate 、 2-[2-[Bis(carboxymethyl)amino]ethyl-[2-[[2-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methoxy]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid 在 stannous chloride 、 NaOH 、 sodium ascorbate 作用下， 以 H₂O 、 aq. HCl 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and characterization of a highly stable dendritic catechol-tripod bearing technetium-99m

  摘要：

  本文介绍了新型Tc(III)放射性标记树状螯合物的合成及初步生物测试（体外毒性、体外稳定性）。由预组织化的三足三酚胺衍生的树状99mTc螯合物1，其动力学稳定性远高于其对应的二乙烯三胺五乙酸（DTPA）同类物2。这使得能够评估预组织化三足结构对动力学惰性（因此对毒性）的真实影响，这是考虑体内应用时必须解决的重要问题。放射性标记是通过氯化锡还原法进行的；而DTPA同类物2在30分钟后显示出高达96%的放射性标记效率，三足复合物1在45分钟后诱导了93%的复合物形成率。相比之下，源自更刚性和有序结构的放射性复合物1展现出比2更高的动力学稳定性。实际上，在生理介质如磷酸盐缓冲盐水（PBS）和牛血清白蛋白（BSA）中，2在1小时30分钟后解离达50%，而超过80%的1在放射性核素的半衰期（99mTc为6.02小时）内保持稳定。对用不同浓度的树状配体16处理后的神经细胞膜损伤导致的细胞泄漏的测量，以及处理后的神经元染色后的图像，显示出未检测到毒性。

  DOI：

  10.1039/b9nj00305c

文献信息

• Dendritic Chelated Compounds, Methods for Making the Same and Pharmaceutical Compositions Containing the Same
  申请人：Felder-Flesch Delphine

  公开号：US20100104512A1

  公开（公告）日：2010-04-29

  The invention relates to dendritic chelated compounds, to methods for producing the same and to pharmaceutical compositions containing the same. The dendritic chelated complexes of the present invention have the following formula (I): [[MC]E n -[D] m —X 1p1 X 2p2 X 3p3 X 4p4 ] z − z B + (I), where m is a magnetic or scintigraphic marker, C is a chelating agent of the marker M, E is a spacer, n=0 or 1, D is compound capable of forming a dendritic structure, m is an integer equal to 1 or 2 or 4, X 1 is a group increasing the complex lipophily, p1 is an integer from 0 to 12, X 2 is a group increasing the complex specificity for a particular organ, p2 is an integer equal to 1 or 2 or 4, X 3 is a group having a therapeutic activity, p3 is an integer equal to 0, 1, 2 or 4, X 4 is a CH 3 group, p4 is an integer from 0 to 12, B is a counter-ion, z is an integer equal to 0, 1, 2, 3 or 4. The invention can be used in the field of pharmacy, more precisely in medical imaging.
• US8404216B2
  申请人：——

  公开号：US8404216B2

  公开（公告）日：2013-03-26
• [EN] DENDRITIC CHELATED COMPOUNDS, METHODS FOR MAKING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME<br/>[FR] COMPLEXES CHELATES DENDRITIQUES, LEURS PROCEDES DE FABRICATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：CENTRE NAT RECH SCIENT

  公开号：WO2008043911A2

  公开（公告）日：2008-04-17

  (EN) The invention relates to dendritic chelated compounds, to methods for producing the same and to pharmaceutical compositions containing the same. The dendritic chelated complexes of the present invention have the following formula (I): [[MC]-En-[D]m-X1p1X2p2X3p3 X4p4]z- z B+ (I), where m is a magnetic or scintigraphic marker, C is a chelating agent of the marker M, E is a spacer, n = 0 or 1, D is compound capable of forming a dendritic structure, m is an integer equal to 1 or 2 or 4, X1 is a group increasing the complex lipophily, p1 is an integer from 0 to 12, X2 is a group increasing the complex specificity for a particular organ, p2 is an integer equal to 1 or 2 or 4, X3 is a group having a therapeutic activity, p3 is an integer equal to 0, 1, 2 or 4, X4 is a CH3 group, p4 is an integer from 0 to 12, B is a counter-ion, z is an integer equal to 0, 1, 2, 3 or 4. The invention can be used in the field of pharmacy, more precisely in medical imaging.(FR) L'invention concerne des complexes chélatés dendritiques, leurs procédés de fabrication et les compositions pharmaceutiques les contenant. Les complexes chélatés dendritiques selon l'invention ont la formule I suivante : [[MC]-En-[D]m-X1p1X2p2X3p3 X4p4]z- z B+ (I), dans laquelle M est un marqueur magnétique ou scintigraphique, C est un agent chélatant du marqueur magnétique M, E est un espaceur, n = 0 ou 1, D est un composé apte à former une structure dendritique, m est un entier valant 1 ou 2 ou 4, X1 est un groupement augmentant la lipophilie du complexe, p1 est un entier valant de 0 à 12 inclus, X2 est un groupement augmentant la spécificité du complexe pour un organe particulier, p2 est un entier valant 0, 1, 2, ou 4 inclus, X3 est un groupement ayant une activité thérapeutique, p3 est un entier valant 0, 1, 2, ou 4 inclus, X4 est un groupement CH3, p4 est un entier valant de 0 à 12 inclus, B est un contre ion, z est un entier valant 0, 1, 2, 3 ou 4. L'invention trouve application dans le domaine pharmaceutique, plus particulièrement dans le domaine de l'imagerie médicale.