SR-2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetraazacyclotetradecane

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: SR-2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetraazacyclotetradecane
• 英文别名: 2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetraazacyclotetradecane；2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetrazacyclotetradecane
• 化学式: C₁₈H₄₀N₄
• 分子量: 312.542
• InChiKey: YXGRPRJSZBLDJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  22
• 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：
  48.1
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  环氧乙烷 、 SR-2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetraazacyclotetradecane 以 水 为溶剂， 反应 5.0h， 以50%的产率得到2-[(2S,7S,9S,14S)-8-(2-Hydroxy-ethyl)-2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetraaza-cyclotetradec-1-yl]-ethanol
  参考文献：
  名称：

  Copper( II ) and Nickel( II ) Complexes of N , N ‐Bis(2‐hydroxyethyl)octamethyl‐1,4,8,11‐tetraazacyclotetradecane

  摘要：

  AbstractReaction of ethylene oxide with the 1,4,8,11‐tetraazacyclotetradecanes Me8[14]ane LB (diaxial‐diequatorial with respect to the methyl substituents at the secondary ring carbons) and LC (axial‐triequatorial) yielded the N4,N11‐disubstituted 2‐hydroxyethyl (Y) derivatives LBY (diaxial‐diequatorial) and LAY (all‐equatorial). These new ligands interact with Cu(ClO4)2 to produce octahedral blue‐violet [CuLBY][ClO4]2 and deep‐blue [CuLAY][ClO4]2, with the hydroxyl groups of the −CH2−CH2−OH arms in axial positions. Reaction of LBY with nickel(II) acetate and subsequent addition of Li(ClO4) yielded square‐planar yellow [NiLBY][ClO4]2. Characterisation has been carried out on the basis of analytical, spectroscopic, conductometric and magneto‐chemical data. The structures of LBY and [CuLAY][ClO4]2 have been confirmed by X‐ray diffraction analyses. The antifungal and antibacterial activities of these compounds have been studied against some phytopathogenic fungi and bacteria. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)

  DOI：

  10.1002/ejic.200400298
• 作为产物：
  描述：

  3,5,7,7-Tetramethyl-1,4-diaza-4-cyclohepten 、 硼氢化钠 以55%的产率得到
  参考文献：
  名称：

  KASPRZYK, S. P.;KOLINSKI, R. A., BULL. POL. ACAD. SCI.: CHEM., 1984, 32, N 3-6, 151-157

  摘要：

  DOI：

文献信息

• 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。
• Radioactive probe for detecting hydrogen sulfide
  申请人：KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

  公开号：US10583206B2

  公开（公告）日：2020-03-10

  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. Accordingly, the probe may be effectively used as a means for diagnosing diseases, such as a composition for imaging, an imaging method, etc.

  本发明提供了一种用于检测体内硫化氢的探针，具体地说，是一种用于检测硫化氢的探针，包括一种引入放射性同位素Cu的复合化合物。根据本公开的具体实施例，由于通过光学和核医学成像实时观察动物模型，其中涉及各种疾病的硫化氢大量产生，根据本公开的用于检测硫化氢的探针可选择性地与硫化氢结合，提供硫化氢在细胞或组织中异常增加的部位的图像，从而在不影响人体解剖学特性的情况下检测意外部位的疾病。因此，该探针可有效地用作诊断疾病的手段，如成像组合物、成像方法等。
• Copper( <scp>II</scp> ) and Nickel( <scp>II</scp> ) Complexes of <i>N</i> , <i>N</i> ‐Bis(2‐hydroxyethyl)octamethyl‐1,4,8,11‐tetraazacyclotetradecane
  作者：Tapashi G. Roy、Saroj K. S. Hazari、Benu K. Dey、Hazarat A. Miah、Cerstin Bader、Dieter Rehder

  DOI：10.1002/ejic.200400298

  日期：2004.10

  AbstractReaction of ethylene oxide with the 1,4,8,11‐tetraazacyclotetradecanes Me8[14]ane LB (diaxial‐diequatorial with respect to the methyl substituents at the secondary ring carbons) and LC (axial‐triequatorial) yielded the N4,N11‐disubstituted 2‐hydroxyethyl (Y) derivatives LBY (diaxial‐diequatorial) and LAY (all‐equatorial). These new ligands interact with Cu(ClO4)2 to produce octahedral blue‐violet [CuLBY][ClO4]2 and deep‐blue [CuLAY][ClO4]2, with the hydroxyl groups of the −CH2−CH2−OH arms in axial positions. Reaction of LBY with nickel(II) acetate and subsequent addition of Li(ClO4) yielded square‐planar yellow [NiLBY][ClO4]2. Characterisation has been carried out on the basis of analytical, spectroscopic, conductometric and magneto‐chemical data. The structures of LBY and [CuLAY][ClO4]2 have been confirmed by X‐ray diffraction analyses. The antifungal and antibacterial activities of these compounds have been studied against some phytopathogenic fungi and bacteria. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)
• KASPRZYK, S. P.;KOLINSKI, R. A., BULL. POL. ACAD. SCI.: CHEM., 1984, 32, N 3-6, 151-157
  作者：KASPRZYK, S. P.、KOLINSKI, R. A.

  DOI：——

  日期：——