1-Methyl-1,4,8,11-tetraazacyclotetradecane | 53118-99-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-Methyl-1,4,8,11-tetraazacyclotetradecane
• 英文别名: 1-methyl-1,4,8,11-tetrazacyclotetradecane
• CAS: 53118-99-3
• 化学式: C₁₁H₂₆N₄
• 分子量: 214.354
• InChiKey: GWXSMIOWBINEFF-UHFFFAOYSA-N

物化性质

• 沸点：
  311.2±10.0 °C(Predicted)
• 密度：
  0.866±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  39.3
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [Ni(N,N-dimethylformamide)6](ClO4)2 、 1-Methyl-1,4,8,11-tetraazacyclotetradecane 以 N,N-二甲基甲酰胺 为溶剂， 生成 {Ni(1-methyl-1,4,8,11-tetraazacyclotetradecane)}(2+)
  参考文献：
  名称：

  Röper, Jürgen R.; Elias, Horst, Inorganic Chemistry, 1992, vol. 31, # 7, p. 1202 - 1210

  摘要：

  DOI：
• 作为产物：
  描述：

  3a-methyl-cis-10b,10c-perhydro-1H,6H:3a,5a,8a,10a-tetraazapyren-3a-ium iodide 在 羟胺 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 1-Methyl-1,4,8,11-tetraazacyclotetradecane
  参考文献：
  名称：

  Crystal Structures and Reactivity of 3a,5a,8a,10a-Tetraazaperhydropyrene Derivatives. An Alternative Approach to Selective Nitrogen Alkylation of 1,4,8,11-Tetraazacyclotetradecane (Cyclam)

  摘要：

  通过cyclam的-aminal反应合成了1-Alkyl和1,8-dialkyl-1,4,8,11-tetraazacyclotetradecanes (alkyl =苄基或甲基)。相应的-aminal是通过相应的线性四胺和glyoxal反应后，使用1,2-二溴乙烷环化合成的。由于aminal桥的特殊稳定性，-aminal衍生物不能用于制备cyclam或其衍生物。基于对一系列cyclam衍生物的X射线结构的测定，讨论了和-aminals的不同反应性，并可以通过-aminals中的立体位阻来解释。

  DOI：

  10.1135/cccc20000243

文献信息

• [EN] EXCIMER FORMING COMPOUNDS<br/>[FR] COMPOSÉS FORMANT DES EXCIMÈRES
  申请人：UNIV TORONTO

  公开号：WO2015089639A1

  公开（公告）日：2015-06-25

  The present application is directed to excimer forming compounds of Formula I: W-V-[Y]n wherein W is an excimer forming fluorophore, V is a linker moiety, Y is a metal ion coordinating moiety and n is 1, 2 or 3. In particular, the application is directed to excimer forming compounds for the detection of proximally phosphorylated sites including those found on polypeptides, proteins, pyrophosphate and RNA, for example in aqueous solution, polyacrylamide gels blotting membranes, solid-support assays and in cell culture samples.

  本申请涉及公式I的激聚物化合物：W-V-[Y]n，其中W是激聚物形成的荧光团，V是连接基团，Y是金属离子配位基团，n为1、2或3。具体而言，该申请涉及用于检测近端磷酸化位点的激聚物化合物，包括在蛋白质、多肽、焦磷酸盐和RNA上发现的位点，例如在水溶液、聚丙烯酰胺凝胶印迹膜、固相支持测定和细胞培养样品中。
• POLYAZAMACROCYCLIC COMPOUND, AND A PRODUCTION METHOD AND A BIOMEDICAL USE THEREFOR
  申请人：Yoo Jeongsoo

  公开号：US20130004423A1

  公开（公告）日：2013-01-03

  According to the present invention, a novel polyazamacrocyclic compound which is used as a bifunctional chelating agent (BFC) can be synthesized selectively and in high yield. The novel polyazamacrocyclic compound synthesized by this method chelates with metals and thus can be conjugated with bioactive molecules such as peptides, and can be used in the diagnosis and treatment of medical conditions.

  根据本发明，一种新型聚氮大环化合物可选择性地且高收率地合成，用作双功能螯合剂（BFC）。通过这种方法合成的新型聚氮大环化合物与金属螯合，因此可以与生物活性分子如肽结合，并可用于医学疾病的诊断和治疗。
• [EN] MOLECULAR DESIGN OF NEW ANTIBIOTICS AND ANTIBIOTIC ADJUVANTS AGAINST MCR STRAINS<br/>[FR] CONCEPTION MOLÉCULAIRE DE NOUVEAUX ANTIBIOTIQUES ET ADJUVANTS D'ANTIBIOTIQUES CONTRE LES SOUCHES MCR
  申请人：SINGAPORE HEALTH SERV PTE LTD

  公开号：WO2020236084A1

  公开（公告）日：2020-11-26

  The present invention relates to a compound comprising a hydrophobic moiety, a linker and N-containing moiety. The present invention also relates to the method of synthesizing the compound and the use of the compound as an antibiotic or an adjuvant for an antibiotic.

  本发明涉及一种包含疏水基团、连接剂和含氮基团的化合物。本发明还涉及合成该化合物的方法以及将该化合物用作抗生素或抗生素辅助剂的用途。
• RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE
  申请人：Kyungpook National University Industry-Academic Cooperation Foundation

  公开号：EP3281643A2

  公开（公告）日：2018-02-14

  Provided is a probe for detecting in vivo hydrogen sulfide, specifically, a probe for detecting hydrogen sulfide including a complex compound into which a radioactive isotope Cu is introduced. According to specific embodiments of the present disclosure, as a result of real-time observing animal models, in which hydrogen sulfide involved in various diseases is generated in a large quantity, through optical and nuclear medicine imaging, the probe for detecting hydrogen sulfide according to the present disclosure may selectively bind with hydrogen sulfide to provide images of a site where hydrogen sulfide has abnormally increased in a cell or a tissue, thereby detecting a disease in an unexpected site without affecting the anatomical properties of the body. In addition, the probe for detecting hydrogen sulfide quickly reacts with hydrogen sulfide, thereby solving the existing problem of waiting a predetermined time for testing after an imaging agent is injected. Accordingly, the probe may be effectively used as a means for diagnosing diseases, such as a composition for imaging, an imaging method, etc.

  提供了一种用于检测体内硫化氢的探针，具体来说，是一种用于检测硫化氢的探针，其中包括引入了放射性同位素铜的复合物。根据本公开的具体实施例，通过实时观察动物模型，可以大量生成涉及各种疾病的硫化氢，通过光学和核医学成像，根据本公开的检测硫化氢的探针可以选择性地与硫化氢结合，提供细胞或组织中硫化氢异常增加的部位的图像，从而在不影响身体解剖特性的情况下检测意外部位的疾病。此外，用于检测硫化氢的探针与硫化氢迅速反应，从而解决了注射成像剂后等待预定时间进行测试的现有问题。因此，该探针可以有效用作诊断疾病的手段，如成像组合物、成像方法等。
• General route for the synthesis of mono N-alkylated derivatives of tetraazamacrocycles
  作者：H. Bernard、J.J. Yaouanc、J.C. Clément、H. des Abbayes、H. Handel

  DOI：10.1016/s0040-4039(00)74848-9

  日期：1991.1

  The selective synthesis of mono N-substituted derivatives of tetraazamacrocycles can be achieved using a new boron triprotection easily removed after alkylation.

  可以使用在烷基化后容易除去的新型硼三保护来实现四氮杂大环的单N-取代的衍生物的选择性合成。