1,2,5,8-二噻重氮基癸英,八氢-3,3,10,10-四甲基- | 106007-85-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 有机二硫化物
• 中文名称: 1,2,5,8-二噻重氮基癸英,八氢-3,3,10,10-四甲基-
• 英文名称: 5,8-diaza-1,2-dithia-3,3,10,10-tetramethylcyclodecane
• 英文别名: 3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodecane；5,8-diaza-3,3,10,10-tetramethyl-1,2-dithiacyclodecane；TDD；3,3,10,10-tetramethyl-[1,2,5,8]dithiadiazecane；1,2,5,8-Dithiadiazecine, octahydro-3,3,10,10-tetramethyl-；3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecane
• CAS: 106007-85-6
• 化学式: C₁₀H₂₂N₂S₂
• 分子量: 234.43
• InChiKey: NAARQGMGSHABQR-UHFFFAOYSA-N

物化性质

• 熔点：
  57-59 °C(Solv: ethanol (64-17-5))
• 沸点：
  321.5±35.0 °C(Predicted)
• 密度：
  0.955±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 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：
  74.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2,5,8-二噻重氮基癸英,八氢-3,3,10,10-四甲基- 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 N,N'-bis(2,2-dimethyl-2-mercaptoethyl)ethylenediamine
  参考文献：
  名称：

  Jeong, J. M.; Lee, Y. S.; Kim, Y. J., Journal of labelled compounds and radiopharmaceuticals, 2001, vol. 44, p. S605 - S607

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2'-dithiobis(2-methylpropanal) 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 1,2,5,8-二噻重氮基癸英,八氢-3,3,10,10-四甲基-
  参考文献：
  名称：

  A Novel and Efficient Method for the Technetium-99m Labelling of Disulfide Compounds Using a Tetrahydroborate Exchange Resin

  摘要：

  通过四氢硼酸盐交换树脂（BER）同时进行 7 的还原、[99m锝]过硫酸盐的还原以及 7 与锝-99m 的螯合，建立了一种新型高效的二硫化物 7 锝-99m 标记方法，该方法具有很高的放射化学纯度。标记过程采用一步三步法，适合于制备 99mTc 放射药品。

  DOI：

  10.1246/bcsj.76.1977

文献信息

• 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。
• Indium(III) and Gallium(III) Complexes of Bis(aminoethanethiol) Ligands with Different Denticities:  Stabilities, Molecular Modeling, and <i>in Vivo</i> Behavior
  作者：Yizhen Sun、Carolyn J. Anderson、Tammy S. Pajeau、David E. Reichert、Robert D. Hancock、Ramunas J. Motekaitis、Arthur E. Martell、Michael J. Welch

  DOI：10.1021/jm9505977

  日期：1996.1.1

  previous reported ligand for In(III). The stability constants of the complexes of 4SS, 5SS, 6SS, and the analogous ligand EDDASS, N,N'-bis(2-mercaptoethyl) ethylenediamine-N,N'-diacetic acid, which does not contain gem-dimethyl groups, are compared. The thermodynamic stabilities of the In(III) complexes of all ligands except 6SS are greater than those of the corresponding Ga(III) complexes. The presence

  Ga（III）和In（III）放射性核素的配合物广泛用于诊断成像。在这项研究中，分别制备了下列密度分别为4、5和6的配体：N，N'-双-（2,2-二甲基-2-巯基乙基）乙二胺（4SS），1-羧基-N-N' -双（2，2-二甲基-2-巯基乙基）乙二胺（5SS）和N，N′-双（2，2-二甲基-2-巯基乙基）乙二胺-N，N′-二乙酸（6SS）。描述了两个新配体5SS和6SS的合成。In（III）和Ga（III）配合物的平衡常数通过直接法和配体竞争性电位法测定。In（III）-6SS在0.100 M KNO3中在25.0摄氏度下的形成常数（KML = [ML] / [M] [L]）为10（39.8），在生理pH（7.4为100％时，其pM） （配体的过量）为30.9。这些值高于以前报道的任何其他In（III）配体值。4SS，5SS，6SS和类似配体EDDASS，N，N'-双（2-巯基乙基）乙二胺-
• Method for the preparation of technetium or rhenium complex for radiopharmaceuticals
  申请人：——

  公开号：US20030228255A1

  公开（公告）日：2003-12-11

  The present invention relates to a method of preparing technetium or rhenium complex for radiopharmaceuticals, through reaction of pertechnetate or perrhenate with a ligand in the presence of a reducing agent, wherein the reducing agent is a borohydride exchange resin (BER) . The borohydride exchange resin of the present invention has advantages of being stable in a wide range of Ph, including acidic or alkaline condition(Ph 2˜14) and thus being applicable to biological materials as well as being easily removable through filtration when being administrated. Also since the radiolabelled complex is produced under conditions milder than those required for the conventional reducing agents as well as has high radiochemical purity and high labeling efficiency, the conventional reducing agents can be replaced by the BER of the present invention.

  本发明涉及一种制备用于放射性药物的钼或锝络合物的方法，通过在还原剂存在下，将过钼酸盐或过锝酸盐与配体反应，其中还原剂是硼氢化物交换树脂（BER）。本发明的硼氢化物交换树脂具有在广泛的pH范围内稳定，包括酸性或碱性条件（pH 2˜14），因此适用于生物材料，并且在被管理时易于通过过滤去除。此外，由于放射性标记的络合物是在比传统还原剂所需条件更温和的条件下产生的，具有高放射化学纯度和高标记效率，因此传统还原剂可以被本发明的BER所取代。
• Microwave Assisted Facile One-Pot Synthesis of¹⁸⁸Re-Complex Using a Tetrahydroborate Exchange Resin. A Bifunctional Chelating Agent for Radiopharmaceuticals
  作者：Sang Hyun Park、Hui Jeong Gwon、Kyung Bae Park

  DOI：10.1246/cl.2004.1278

  日期：2004.10

  A facile one-pot synthesis of 188Re-complex as a bifunctional chelating agent for the preparation of therapeutic radiopharmaceuticals was accomplished with good labeling yields and radiochemical purity by using a tetrahydroborate exchange resin as a reducing agent for a disulfide ligand as well as the [188Re]perrhenate ion under microwave irradiation.

  在微波辐照下，使用四氢硼酸盐交换树脂作为二硫配体和[188Re]过铼酸根离子的还原剂，完成了用于制备治疗性放射性药物的双功能螯合剂--188Re-络合物的简单单锅合成，并获得了良好的标记产量和放射化学纯度。
• Diaminedithiol derivatives and radiorhenium or radiotechnetium complex thereof; a liver cancer-treating composition comprising the radiorhenium complex and lipiodol; and a kit for preparation of the liver cancer-treating composition
  申请人：——

  公开号：US20040087567A1

  公开（公告）日：2004-05-06

  The present invention relates to a novel diaminedithiol derivative or a pharmaceutically acceptable salt thereof; radiorhenium or radiotechneticum complex thereof; a composition for treating liver cancer comprising the radiorhenium complex and lipiodol; and, a preparative kit of the composition for treating liver cancer. In the composition according to the invention, the diaminedithiol derivative is a novel compound in which long chain alkyl groups were introduced to diaminedithiol, capable of forming a radiorhenium or radiotechnetium complex thereof with an ease and leading to stronger van der Waals bonds with lipiodol. As a result, the complex becomes more stable in a medium, lipiodol, whereby the composition of the invention exhibits a high accumulation rate in liver cancer tissue when injected via hepatic artery, thereby capable of achieving an efficient treatment of liver cancer.

  本发明涉及一种新型二氨基二硫衍生物或其药学上可接受的盐；其辐射铼或辐射钷配合物；一种用于治疗肝癌的组合物，包括辐射铼配合物和碘油；以及治疗肝癌的组合物的制备工具包。 在本发明的组合物中，二氨基二硫衍生物是一种新化合物，其中引入了长链烷基，能够轻松形成辐射铼或辐射钷配合物，并与碘油形成更强的范德华键。因此，该配合物在介质碘油中更加稳定，当通过肝动脉注射时，本发明的组合物在肝癌组织中具有高积累率，从而能够实现有效的肝癌治疗。