DOTA N-hydroxysulfosuccinimide ester | 245758-38-7

• 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
• 英文名称: DOTA N-hydroxysulfosuccinimide ester
• 英文别名: DOTA-sulfo-NHS；2-[4,10-Bis(carboxymethyl)-7-[2-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• CAS: 245758-38-7
• 化学式: C₂₀H₃₁N₅O₁₃S
• 分子量: 581.558
• InChiKey: GCEOQCSXXDHAEI-UHFFFAOYSA-N

物化性质

• 密度：
  1.67±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -11.6
• 重原子数：
  39
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  251
• 氢给体数：
  4
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  DOTA N-hydroxysulfosuccinimide ester 、 以 乙腈 为溶剂， 以54.6%的产率得到
  参考文献：
  名称：

  Multimodal formyl peptide receptor 1 targeted inflammation imaging probe: cFLFLF-MHI-DOTA

  摘要：

  Formyl peptide receptor 1 (FPR1) targeting multimodal probe cFLFLFK-MHI-DOTA for leukocyte based inflammation imaging is described. The compound consists of three domains, (a) cFLFLF peptide for FPR1 recognition and binding for activated leukocyte, (b) heptamethine cyanine dye (MHI) for near infrared fluorescence (NIRF) detection and imaging, and (c) metal chelator DOTA ligand that could form complex with a radiometal for nuclear (PET/SPECT) imaging or with a paramagnetic metal for MRI imaging. Detailed synthesis, characterization and in vitro evaluation are reported. The availability of dual mode inflammation imaging probe would allow in vivo gross level imaging of inflammation foci as well as ex vivo microscopic level cellular imaging for role played by innate immune cells in inflamed tissue. (C) 2016 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2015.12.029
• 作为产物：
  描述：

  1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸 、 N-羟基磺酸琥珀酰亚胺 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 反应 0.5h， 生成 DOTA N-hydroxysulfosuccinimide ester
  参考文献：
  名称：

  [EN] HEPTAMETHINE CARBOCYANINE DYE-DOTA CONJUGATES COMPLEXED WITH LUTETIUM-177, YTTRIUM-90, OR GALLIUM-68, AND THEIR USES FOR IMAGE-GUIDED RADIOTHERAPY
  [FR] CONJUGUÉS DE COLORANT HEPTAMÉTHINE CARBOCYANINE-DOTA COMPLEXÉS AVEC DU LUTÉCIUM-177, DE L'YTTRIUM-90 OU DU GALLIUM-68, ET LEURS UTILISATIONS POUR UNE RADIOTHÉRAPIE GUIDÉE PAR IMAGE

  摘要：

  本发明实施例一般涉及七甲基碳氰染料（HMCD）-螯合剂放射性金属配合物的共轭物、包含这种复合物的放射性制剂以及它们的使用，特别是用于癌症的内部放射治疗和/或成像。具体而言，在实施例中，提供了与镥-177、钇-90或镓-68或其组合复合的DZ-1-Lys-DOTA共轭物。一些实施例提供了利用镥-177或钇-90复合物改进的放射治疗。进一步的实施例提供了利用镓-68复合物改进的放射成像及其使用。然而，更进一步的实施例通过使用匹配的治疗诊断对提供了改进的图像引导治疗，其中对于治疗目的，放射性金属从镥-177、钇-90中选择一个或多个，每个金属用于成像目的可与镓-68配对，以改进图像引导放射治疗。

  公开号：

  WO2022147224A1

文献信息

• [EN] PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES<br/>[FR] COMPOSÉS PHARMACEUTIQUES CIBLÉS PAR DES FRACTIONS SE FIXANT PAR AFFINITÉ À UN MIF
  申请人：RJS BIOLOG LLC

  公开号：WO2014200872A9

  公开（公告）日：2015-02-05
• Synthesis of novel neutrophil-specific imaging agents for Positron Emission Tomography (PET) imaging
  作者：Yi Zhang、Bijoy Kundu、Karen D. Fairchild、Landon Locke、Stuart S. Berr、Joel Linden、Dongfeng Pan

  DOI：10.1016/j.bmcl.2007.10.013

  日期：2007.12

  A neutrophil-specific peptide, cinnamoyl-F(D)LF(D)LFK (cFLFLFK), was conjugated consecutively with a polyethylene glycol moiety (3.4 K) and 2,2',2 '',2"'-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid (DOTA) to form cFLFLFK-PEG-DOTA. After Cu-64 labeling, Positron Emission Tomography (PET) imaging was successfully able to detect mouse lung inflammation. (c) 2007 Elsevier Ltd. All rights reserved.
• Synthesis of PECAM-1-specific 64Cu PET imaging agent: Evaluation of myocardial infarction caused by ischemia-reperfusion injury in mouse
  作者：Li Xiao、Yi Zhang、Zequan Yang、Yaqin Xu、Bijoy Kundu、Mahendra D. Chordia、Dongfeng Pan

  DOI：10.1016/j.bmcl.2012.04.059

  日期：2012.6

  A PECAM-1 specific PET imaging agent, PECAM-1-Ab-DOTA-Cu-64, was synthesized by conjugating the anti-mouse PECAM-1 antibody with 2,2',2 '',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl) tetraacetic acid (DOTA) and subsequent labeling with Cu-64. Positron Emission Tomography (PET) was successfully performed in a mouse model of myocardial infarction (MI) induced by an ischemia/reperfusion (I/R) injury, indicating the elevated expression of PECAM-1. Published by Elsevier Ltd.