(2S,5S,8S,11S)-2,5,8,11-tetraethyl-1,4,7,10-tetraazacyclododecane

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (2S,5S,8S,11S)-2,5,8,11-tetraethyl-1,4,7,10-tetraazacyclododecane
• 英文别名: (2S,5S,8S,11S)-2,5,8,11-tetraethyl-1,4,7,10-tetrazacyclododecane
• 化学式: C₁₆H₃₆N₄
• 分子量: 284.489
• InChiKey: VMUAKVGZDJUCKV-VGWMRTNUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  48.1
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2S,5S,8S,11S)-2,5,8,11-tetraethyl-1,4,7,10-tetraazacyclododecane 在 potassium carbonate 、 lithium hydroxide 作用下， 以 甲醇 、 水 、 乙腈 为溶剂， 生成 lithium salt of 2S,5S,8S,11S-2,5,8,11-tetraethyl-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid
  参考文献：
  名称：

  WO2018051197A5

  摘要：

  公开号：

  WO2018051197A5
• 作为产物：
  描述：

  (2S,5S,8S,11S)-1,4,7,10-tetrabenzyl-2,5,8,11-tetraethyl-1,4,7,10-tetraazacyclododecane 在 20% palladium hydroxide-activated charcoal 、 甲酸铵 作用下， 以 2,2,2-三氟乙醇 为溶剂， 以0.98 g的产率得到(2S,5S,8S,11S)-2,5,8,11-tetraethyl-1,4,7,10-tetraazacyclododecane
  参考文献：
  名称：

  [EN] CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS
  [FR] CONJUGUÉS COMPRENANT DES LIANTS COVALENTS POUR LE CIBLAGE DE PROTÉINES KRAS G12C INTRACELLULAIRES

  摘要：

  Provided herein are radiopharmaceutical compositions, conjugates and uses thereof. In one aspect, provided herein are covalently modified KRAS proteins comprising a radiolabeled compound or conjugate. In some embodiments, the radiolabeled compound described herein comprises a covalently bound radioisotope. In some embodiments, the radiolabeled conjugate comprises a targeting ligand and a metal chelator configured to bind a radionuclide. The radiolabeled compound or conjugate described herein can form a covalent bond with a cysteine residue (such as G12C) in the mutated KRAS protein. Further provided herein are methods of treating and diagnosing cancer by administering the described radiolabeled compounds, conjugates, and compositions to a subject, thereby forming the covalently modified KRAS G12C protein.

  公开号：

  WO2023014979A1

文献信息

• New Class of Bright and Highly Stable Chiral Cyclen Europium Complexes for Circularly Polarized Luminescence Applications
  作者：Lixiong Dai、Wai-Sum Lo、Ian D. Coates、Robert Pal、Ga-Lai Law

  DOI：10.1021/acs.inorgchem.6b01546

  日期：2016.9.6

  recorded in our series of newly designed macrocyclic europium(III) complexes. A sterically locking approach involving a bidentate chromophore is adopted to control the formation of one stereoisomer, giving rise to extreme rigidity, high stability, and high emission intensity. The combination of a chiral substituent on a macrocyclic chelate for lanthanide ions opens up new perspectives for the further

  高克LUM 0.30（Δ的值Ĵ = 1，591纳米，在DMSO中）和-0.23（Δ Ĵ = 1，589纳米，H中2 O）被记录在我们的系列新设计的大环铕（III）络合物的。采用包括二齿生色团的空间锁定方法来控制一种立体异构体的形成，从而产生极高的刚性，高稳定性和高发射强度。镧系离子在大环螯合物上的手性取代基的结合为光学和生物应用中的圆偏振发光手性标签的进一步发展开辟了新的前景。
• Unusual Magnetic Field Responsive Circularly Polarized Luminescence Probes with Highly Emissive Chiral Europium(III) Complexes
  作者：Junhui Zhang、Lixiong Dai、Alexandra M. Webster、Wesley Ting Kwok Chan、Lewis E. Mackenzie、Robert Pal、Steven L. Cobb、Ga‐Lai Law

  DOI：10.1002/anie.202012133

  日期：2021.1.11

  clear need to design and develop sensitive chiral optical probes that can function within a biological setting. Here we report the design and synthesis of magnetically responsive Circularly Polarized Luminescence (CPL) complexes displaying exceptional photophysical properties (quantum yield up to 31 % and |glum| up to 0.240) by introducing chiral substituents onto the macrocyclic scaffolds. Magnetic CPL

  手性在许多作用和功能仍未确定的生物系统中无处不在。鉴于此，显然需要设计和开发可在生物环境中发挥作用的灵敏手性光学探针。在这里，我们报告了通过在大环支架上引入手性取代基来设计和合成具有优异光物理特性（量子产率高达 31% 和 |g lum | 高达 0.240）的磁响应圆极化发光 (CPL) 复合物。在这些手性 Eu III配合物中观察到磁性 CPL 响应，促进了磁光领域的令人兴奋的发展。|g lum | 5 D 0 → 7 F _1次跃迁从 0.222 (0 T) 增加到 0.266 (1.4 T) 增加了 20%，显示出 Δg lum和磁场强度之间的线性关系。这些具有磁性 CPL 响应的 Eu III配合物由于提高了灵敏度和分辨率，提供了用于 CPL 成像应用的潜在发展。
• Chiral cyclen compounds and their uses
  申请人：THE HONG KONG POLYTECHNIC UNIVERSITY

  公开号：US11357873B2

  公开（公告）日：2022-06-14

  The present invention relates to the preparation of a series of chiral DOTA, DO3A, DO2A, DO1A, cyclen and their metal complexes, which display properties superior to those of previous DOTA-based compounds, and hence are potentially valuable as a platform for diagnostic applications. The chiral DOTAs reveal a high abundance of twisted square antiprism (TSA) geometry favoring them to be used as potential MRI contrast agents, whereas their rapid labelling properties at mild conditions make them excellent candidates for use as radiometal chelators.

  本发明涉及一系列手性 DOTA、DO3A、DO2A、DO1A、cyclen 及其金属配合物的制备，这些配合物显示出优于以往 DOTA 类化合物的特性，因此具有作为诊断应用平台的潜在价值。手性 DOTAs 显示出高丰度的扭曲方形反棱柱（TSA）几何形状，有利于它们用作潜在的核磁共振成像造影剂，而它们在温和条件下的快速标记特性使它们成为放射性金属螯合剂的绝佳候选化合物。
• Design of Functional Chiral Cyclen-Based Radiometal Chelators for Theranostics
  作者：Lixiong Dai、Junhui Zhang、Carlos Tinlong Wong、Wesley Ting Kwok Chan、Xiaoxi Ling、Carolyn J. Anderson、Ga-Lai Law

  DOI：10.1021/acs.inorgchem.0c03734

  日期：2021.5.17
• VERFAHREN ZUR HERSTELLUNG VON 1,4,7,10-TETRAAZACYCLODODECAN UND DESSEN DERIVATEN
  申请人：SCHERING AKTIENGESELLSCHAFT

  公开号：EP0883610B1

  公开（公告）日：2000-07-12