S-trityl-N-bromoacetyl-mercaptoethylamine | 136721-64-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: S-trityl-N-bromoacetyl-mercaptoethylamine
• 英文别名: N-(2-bromoacetyl)-S-triphenylmethyl-cysteamine；2-bromo-N-(2-(tritylthio)ethyl)acetamide；N-(2-bromoacetyl)-S-(triphenylmethyl)-2-aminoethanethiol；Acetamide, 2-bromo-N-[2-[(triphenylmethyl)thio]ethyl]-；2-bromo-N-(2-tritylsulfanylethyl)acetamide
• CAS: 136721-64-7
• 化学式: C₂₃H₂₂BrNOS
• 分子量: 440.404
• InChiKey: DYLAXLLCKLPULN-UHFFFAOYSA-N

物化性质

• 沸点：
  572.6±50.0 °C(Predicted)
• 密度：
  1.326±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  S-trityl-N-bromoacetyl-mercaptoethylamine 在 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 48.0h， 生成 N-[[[[2-[(triphenylmethyl)thio]ethyl]amino]carbonyl]-methyl]-N-(3′-chloropropyl)-S-(triphenylmethyl)-2-aminoethanethiol
  参考文献：
  名称：

  Highly Efficient Synthesis and Imaging Studies of an Arylpiperazine Derivative as a 5-HT_1AReceptor Imaging Agent

  摘要：

  已开发出一种新颖且直接的微波合成方法，用于制备一种具有N2S2结构的新型芳基哌嗪衍生物3，并使用硼氢化物交换树脂（BER）作为还原剂，在其存在下与锝的最佳放射性核素进行标记。根据本研究，这种新型的放射性标记化合物4有可能作为血清素神经受体的成像剂，用于诊断应用。

  DOI：

  10.1246/cl.2006.1304
• 作为产物：
  描述：

  三苯基甲醇 在 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 S-trityl-N-bromoacetyl-mercaptoethylamine
  参考文献：
  名称：

  Synthesis and biological evaluation of technetium-99m-labeled deoxyglucose derivatives as imaging agents for tumor

  摘要：

  Three deoxyglucose (DG) derivatives, S-DG, MAG(3)-DG and MAMA-BA-DG, were synthesized and labeled successfully with high labeling yields and high radio-chemical purities. Biodistribution in tumor-bearing mice demonstrated that these three new Tc-99m-deoxyglucose derivatives showed accumulation in tumor and high tumor-to-musele ratios. Among them, the Tc-99m-MAG(3)-DG showed the best characteristics as a potential tumor marker for single photon emission computed tomography (SPECT). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.050

文献信息

• Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation
  申请人：——

  公开号：US20030003049A1

  公开（公告）日：2003-01-02

  The present invention provides novel diagnostic compositions comprising a radiolabeled LTB4 binding agent and a radiolabeled perfusion imaging agent, diagnostic kits comprising such compositions, and methods of concurrent imaging in a mammal comprising administering a radiolabeled LTB4 binding agent and a radiolabeled perfusion imaging agent, and concurrently detecting the radiolabeled LTB4 binding agent bound at the LTB4 receptor and the radiolabeled perfusion imaging agent.

  本发明提供了包括放射标记的LTB4结合剂和放射标记的灌注成像剂的新型诊断组合物，包括这种组合物的诊断试剂盒，以及在哺乳动物中进行同时成像的方法，包括给予放射标记的LTB4结合剂和放射标记的灌注成像剂，并同时检测结合在LTB4受体上的放射标记的LTB4结合剂和放射标记的灌注成像剂。
• Radiopharmaceuticals for imaging infection and inflammation
  申请人：——

  公开号：US20030124053A1

  公开（公告）日：2003-07-03

  The present invention provides novel radiopharmaceuticals useful for the diagnosis of infection and inflammation, reagents and kits useful for preparing the radiopharmaceuticals, methods of imaging sites of infection and/or inflammation in a patient, and methods of diagnosing diseases associated with infection or inflammation in patients in need of such diagnosis. The radiopharmaceuticals bind in vivo to the leukotriene B4 (LTB4) receptor on the surface of leukocytes which accumulate at the site of infection and inflammation. The reagents provided by this invention are also useful for the treatment of diseases associated with infection and inflammation.

  本发明提供了用于诊断感染和炎症的新型放射性药物，用于制备这些放射性药物的试剂和工具包，用于在患者体内成像感染和/或炎症部位的方法，以及用于诊断需要此类诊断的患者中与感染或炎症相关的疾病的方法。这些放射性药物在体内与在感染和炎症部位聚集的白细胞表面的白三烯B4（LTB4）受体结合。本发明提供的试剂还可用于治疗与感染和炎症相关的疾病。
• Tc-labeled arylpiperazine derivatives for imaging serotonin receptor
  申请人：Park Hyun Sang

  公开号：US20070036715A1

  公开（公告）日：2007-02-15

  The present invention relates to Tc-labeled arylpiperazine derivatives for imaging serotonin receptor and, more particularly, to arylpiperazine derivatives coupled with MAMA-disulfide, N 2 S 2 or dimethyl-N 2 S 2 chelating ligand represented by the following chemical formula (1). New arylpiperazine derivatives according to the present invention have no problem of amide hydrolysis in metabolism and have a high affinity for serotonin receptors, and can be labeled with an optimum radionuclide of technetium, thereby being usefully applied for monitoring neurodegenerative diseases or neurological diseases of a mammal.

  本发明涉及用于成像5-羟色胺受体的Tc标记的芳基哌嗪衍生物，更具体地说，涉及与MAMA-二硫化物、N2S2或二甲基-N2S2螯合配体偶联的芳基哌嗪衍生物，其化学式如下（1）。根据本发明的新芳基哌嗪衍生物在代谢中没有酰胺水解问题，对5-羟色胺受体具有高亲和力，并且可以与锝的最佳放射性核素标记，因此可以用于监测哺乳动物的神经退行性疾病或神经系统疾病，具有实用价值。
• Synthesis and DNA-Binding Studies of a Dinuclear Gadolinium(III)–Platinum(II) Complex
  作者：Jacob M. Fenton、Madleen Busse、Louis M. Rendina

  DOI：10.1071/ch14572

  日期：——

  The synthesis and characterisation of a new dinuclear GdIII–PtII complex (1·PF6) containing a functionalised macrocyclic 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid derivative linked to a PtII-terpy (terpy = 2,2′ : 6′,2″-terpyridine) unit by means of a short thiolato linker are reported. The complex was synthesised in six steps from cyclen by means of a modular synthetic strategy. A preliminary DNA-binding study with calf-thymus DNA (ct-DNA) was performed on 1·PF6 by means of linear dichroism (LD). The observed changes in the DNA LD signal in the presence of the metal complex are fully consistent with an intercalative binding mode. Furthermore, an induced negative LD signal in the ultraviolet absorption region of the complex provides strong evidence of a strong DNA-binding interaction. The in vitro cytotoxicity of 1·PF6 towards a human glioblastoma cell line (T98G) was also determined.

  报告了一种新的双核 GdIII-PtII 复合物（1-PF6）的合成和表征，该复合物含有功能化的大环 1,4,7,10-四氮杂环十二烷-1,4,7-三乙酸衍生物，该衍生物通过短硫醇连接体与 PtII-terpy（terpy = 2,2′ : 6′,2″-terpyridine）单元相连。该复合物是通过模块化合成策略从环烯中分六步合成的。通过线性二色性（LD），对 1-PF6 与小牛胸腺 DNA（ct-DNA）进行了初步的 DNA 结合研究。在金属复合物存在的情况下，观察到的 DNA LD 信号变化与插层结合模式完全一致。此外，在复合物的紫外吸收区域出现的诱导负 LD 信号为 DNA 的强结合作用提供了有力证据。此外，还测定了 1-PF6 对人类胶质母细胞瘤细胞系（T98G）的体外细胞毒性。
• Bisamidate and Mixed Amine/Amidate NiN₂S₂ Complexes as Models for Nickel-Containing Acetyl Coenzyme A Synthase and Superoxide Dismutase: An Experimental and Computational Study
  作者：Vaidyanathan Mathrubootham、Jason Thomas、Richard Staples、John McCraken、Jason Shearer、Eric L. Hegg

  DOI：10.1021/ic9023053

  日期：2010.6.21

  The distal nickel site of acetyl-CoA synthase (Nid-ACS) and reduced nickel superoxide dismutase (Ni-SOD) display similar square-planar NiIIN2S2 coordination environments. One difference between these two sites, however, is that the nickel ion in Ni-SOD contains a mixed amine/amidate coordination motif while the Nid site in Ni-ACS contains a bisamidate coordination motif. To provide insight into the

  乙酰辅酶A合酶（Ni d -ACS）和还原镍超氧化物歧化酶（Ni-SOD）的远端镍位点显示出类似的方形平面Ni II N 2 S 2配位环境。然而，这两个位点之间的一个区别是 Ni-SOD 中的镍离子包含混合的胺/酰胺配位基序，而Ni-ACS 中的 Ni d位点包含双酰胺基配位基序。为了深入了解不同配位环境对 Ni 离子性质的影响，我们系统地检查了两种方形平面 Ni II N 2 S 2复合物，一种具有双硫醇-双酰胺连接 (Et 4 N)2 (Ni(L1))·2H 2 O ( 2 ) [H 4 L1 = N -(2-巯基乙酰基)- N '-(2-巯基乙基)甘氨酰胺] 和另一个与双硫醇胺/酰胺基连接 K(Ni( HL2)) ( 3 ) [H 4 L2 = N -(2''-巯基乙基)-2-((2'-巯基乙基)氨基)乙酰胺]。尽管这两种配合物的区别仅在于单个胺与酰胺配体，但它们的化学性质却大不相同。双酰胺配合物