N,N'-bis-[2-(4-methoxy-benzylsulfanyl)-ethyl]-ethylenediamine | 189950-27-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N,N'-bis-[2-(4-methoxy-benzylsulfanyl)-ethyl]-ethylenediamine
• 英文别名: N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine
• CAS: 189950-27-4
• 化学式: C₂₂H₃₂N₂O₂S₂
• 分子量: 420.64
• InChiKey: FGRLWFPXDDEELJ-UHFFFAOYSA-N

物化性质

• 沸点：
  581.0±50.0 °C(Predicted)
• 密度：
  1.119±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  28
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N'-bis-[2-(4-methoxy-benzylsulfanyl)-ethyl]-ethylenediamine 在 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-5-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl-[2-[2-[(4-methoxyphenyl)methylsulfanyl]ethylamino]ethyl]amino]pent-1-enyl]pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of a technetium-99m-labeled thymidine analog: a potential HSV1-TK substrate for non-invasive reporter gene expression imaging

  摘要：

  {2-[5-(2'-Fluoro-2'-deoxyuridin-5-yl)pent-4(E)-enyl] [2-(2-mercaptoethyl)aminoethyl]aminoethanethiolato(3)-N,N' ,S,S'}-oxo[Tc-99m]technetium(V), a potential viral thymidine kinase substrate, was synthesized by coupling 2-fluoro-2'-deoxyuridine analog with a N2S2 radiometal chelator, followed by [Tc-99m]technetilim conjugation. The chemical structure of the radioactive probe was characterized by H-1 NMR and high resolution MS using Re-188 conjugated mimics. The radiochemical purity and yield were identified as 98% and 42%, respectively. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2004.09.145
• 作为产物：
  描述：

  N-[2-((2-S-(4-methoxybenzyl)sulfanyl)ethyl)amino]acetyl-S-(4-methoxybenzyl)-2-aminoethanethiol 在 lithium aluminium tetrahydride 作用下， 以85%的产率得到N,N'-bis-[2-(4-methoxy-benzylsulfanyl)-ethyl]-ethylenediamine
  参考文献：
  名称：

  [EN] AGENTS FOR IMAGING AND DIAGNOSTIC METHODS USING THEM
  [FR] AGENTS D'IMAGERIE ET PROCEDES DIAGNOSTIQUES FAISANT APPEL A CES DERNIERS

  摘要：

  公开号：

  WO2003101948A3

文献信息

• Radiopharmaceuticals for diagnosing alzheimer's disease
  申请人：Schering AG

  公开号：US20020131932A1

  公开（公告）日：2002-09-19

  This invention is directed to the use of radiopharmaceuticals in diagnosing Alzheimer's disease. In particular the radiopharmaceuticals of the invention are able to pass through the blood-brain barrier and bind to the CCR1 receptor present in brain tissue of patients having Alzheimer's disease.

  这项发明涉及在诊断阿尔茨海默病中使用放射性药物。具体来说，该发明的放射性药物能够穿过血脑屏障，并结合到患有阿尔茨海默病的患者脑组织中存在的CCR1受体上。
• Synthesis of a technetium-99m labeled tricyclic ganciclovir analog for non-invasive reporter gene expression imaging
  作者：Yi Zhang、Jing Lin、Dongfeng Pan

  DOI：10.1016/j.bmcl.2006.10.077

  日期：2007.2

  A potential radiopharmaceutical and HSV1-TK substrate, 3-((1,3-dihydroxypropan-2-yloxy)-methyl)-6-(4-(3-((2-mercaptoethyl)(2-(2-mercaptoethyl-amino)-ethyl)amino)propoxy)phenyl)-3H-imidazopurin-9(5H)-one-oxo-technetium(V), was synthesized via a converging approach and its chemical structure was comparatively characterized with a non-radioactive analog. The final radiochemical purity and yield were 97 and 73%, respectively. (c) 2006 Elsevier Ltd. All rights reserved.
• Novel Benzofurans with ^99mTc Complexes as Probes for Imaging Cerebral β-Amyloid Plaques
  作者：Masahiro Ono、Yasufumi Fuchi、Takeshi Fuchigami、Nobuya Kobashi、Hiroyuki Kimura、Mamoru Haratake、Hideo Saji、Morio Nakayama

  DOI：10.1021/ml100140d

  日期：2010.11.11

  Two novel benzofuran derivatives coupled with Tc-99m complexes were tested as probes for imaging cerebral beta-amyloid plaques using single photon emission tomography. Although both derivatives bound to A beta(1-42) aggregates, Tc-99m-BAT-BF showed higher affinity than. Tc-99m-MAMA-BF. In sections of brain tissue from an animal model of AD, Tc-99m-BAT-BF clearly labeled beta-amyloid plaques in biodistribution experiments using normal mice Tc-99m-BAT-BF displayed high uptake soon after its injection and washed out from the brain rapidly, a highly desirable feature for an imaging agent. Tc-99m-BAT-BF may be a potential probe for imaging beta-amyloid plaques in Alzheimer's brains.
• Oya, S.; Kung, M.-P.; Mu, M., Journal of labelled compounds and radiopharmaceuticals, 1997, vol. 40, p. 431 - 433
  作者：Oya, S.、Kung, M.-P.、Mu, M.、Kung, H. F.

  DOI：——

  日期：——
• US6676926B2
  申请人：——

  公开号：US6676926B2

  公开（公告）日：2004-01-13