N-[7-[[2,3-bis(prop-2-enoxy)benzoyl]amino]-4-[3-[[2,3-bis(prop-2-enoxy)benzoyl]amino]propyl]-4-(hydroxymethyl)heptyl]-2,3-bis(prop-2-enoxy)benzamide | 1017967-87-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[7-[[2,3-bis(prop-2-enoxy)benzoyl]amino]-4-[3-[[2,3-bis(prop-2-enoxy)benzoyl]amino]propyl]-4-(hydroxymethyl)heptyl]-2,3-bis(prop-2-enoxy)benzamide
• CAS: 1017967-87-1
• 化学式: C₅₀H₆₃N₃O₁₀
• 分子量: 866.064
• InChiKey: NTZPQPMITWEPGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  63
• 可旋转键数：
  34
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  163
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  N-[7-[[2,3-bis(prop-2-enoxy)benzoyl]amino]-4-[3-[[2,3-bis(prop-2-enoxy)benzoyl]amino]propyl]-4-(hydroxymethyl)heptyl]-2,3-bis(prop-2-enoxy)benzamide 在 sodium chlorite 、 草酰氯 、 氨基磺酸 、 二甲基亚砜 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 14.17h， 生成 5-[[2,3-Bis(prop-2-enoxy)benzoyl]amino]-2,2-bis[3-[[2,3-bis(prop-2-enoxy)benzoyl]amino]propyl]pentanoic acid
  参考文献：
  名称：

  MULTIMODAL CONTRAST AND RADIOPHARMACEUTICAL AGENT FOR AN IMAGING AND A TARGETED THERAPY GUIDED BY IMAGING

  摘要：

  一种多模式对比和放射性药剂，用于成像和由成像引导的靶向治疗。

  公开号：

  US20140336368A1
• 作为产物：
  描述：

  苯甲酸,二羟基- 在 吡啶 、 三聚氟氰 、 四丁基氟化铵 、 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 反应 122.5h， 生成 N-[7-[[2,3-bis(prop-2-enoxy)benzoyl]amino]-4-[3-[[2,3-bis(prop-2-enoxy)benzoyl]amino]propyl]-4-(hydroxymethyl)heptyl]-2,3-bis(prop-2-enoxy)benzamide
  参考文献：
  名称：

  [EN] MULTIMODAL CONTRAST AND RADIOPHARMACEUTICAL AGENT FOR AN IMAGING AND A TARGETED THERAPY GUIDED BY IMAGING
  [FR] AGENT DE CONTRASTE ET RADIOPHARMACEUTIQUE MULTIMODAL POUR UNE IMAGERIE ET UNE THÉRAPIE CIBLÉE GUIDÉE PAR IMAGERIE

  摘要：

  本发明涉及一种用于成像和由成像引导的靶向治疗的多模式对比和放射性药剂。

  公开号：

  WO2013072717A1

文献信息

• [EN] MULTIMODAL CONTRAST AND RADIOPHARMACEUTICAL AGENT FOR AN IMAGING AND A TARGETED THERAPY GUIDED BY IMAGING<br/>[FR] AGENT DE CONTRASTE ET RADIO-PHARMACEUTIQUE MULTIMODAL DESTINÉ À UNE IMAGERIE ET À UNE THÉRAPIE CIBLÉE GUIDÉE PAR IMAGERIE
  申请人：CENTRE NAT RECH SCIENT

  公开号：WO2013072071A1

  公开（公告）日：2013-05-23

  The present invention relates to a multimodal contrast and radiopharmaceutical agent for an imaging and a targeted therapy guided by imaging.

  本发明涉及一种用于成像和由成像引导的靶向治疗的多模式对比和放射性药剂。
• [EN] MULTIMODAL CONTRAST AND RADIOPHARMACEUTICAL AGENT FOR AN IMAGING AND A TARGETED THERAPY GUIDED BY IMAGING<br/>[FR] AGENT DE CONTRASTE ET RADIOPHARMACEUTIQUE MULTIMODAL POUR UNE IMAGERIE ET UNE THÉRAPIE CIBLÉE GUIDÉE PAR IMAGERIE
  申请人：CENTRE NAT RECH SCIENT

  公开号：WO2013072717A1

  公开（公告）日：2013-05-23

  The present invention relates to a multimodal contrast and radiopharmaceutical agent for an imaging and a targeted therapy guided by imaging.

  本发明涉及一种用于成像和由成像引导的靶向治疗的多模式对比和放射性药剂。
• Synthesis and characterization of a highly stable dendritic catechol-tripod bearing technetium-99m
  作者：Annabelle Bertin、Anne-Isabelle Michou-Gallani、Jérôme Steibel、Jean-Louis Gallani、Delphine Felder-Flesch

  DOI：10.1039/b9nj00305c

  日期：——

  The synthesis and preliminary biological tests (in vitro toxicity, in vitro stability) of new Tc(III)-radiolabelled dendro-chelates are presented. A dendritic 99mTc chelate 1 derived from a pre-organized tripodal tris-catecholamide exhibits a kinetic stability by far more important than its corresponding diethylenetriamine pentaacetic acid (DTPA) homologue 2. This permitted an assessment of the real impact of the pre-organized tripodal structure on kinetic inertness (and thus toxicity), an important issue to address when considering in vivo applications. Radiolabelling was performed using the stannous chloride reduction method; while DTPA-homologue 2 showed a high radiolabelling efficiency (96% radiolabelling yield after 30 min), tripodal complex 1 induced a 93% complexation yield after 45 min. In contrast, radiocomplex 1 derived from the most rigid and organized structure has a higher kinetic stability than 2. Indeed, while dissociation of 2 reached 50% after 1 h 30 min in physiological media like phosphate buffer saline (PBS) and bovine serum albumin (BSA), over 80% of 1 remained stable during the half-life of the radionucleide (6.02 h for 99mTc). Measurements of the cell leakage resulting from membrane damage of neuronal cells treated with increasing concentrations of dendritic ligand 16, together with pictures of treated neurons after staining, showed no detectable toxicity.

  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。
• 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.
• MULTIMODAL CONTRAST AND RADIOPHARMACEUTICAL AGENT FOR AN IMAGING AND A TARGETED THERAPY GUIDED BY IMAGING
  申请人：Felder-Flesch Delphine

  公开号：US20140336368A1

  公开（公告）日：2014-11-13

  A multimodal contrast and radiopharmaceutical agent for an imaging and a targeted therapy guided by imaging.

  一种多模式对比和放射性药剂，用于成像和由成像引导的靶向治疗。