N,N'-bis(2,2-dimethyl-2-mercaptoethyl)ethylenediamine | 57443-14-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N'-bis(2,2-dimethyl-2-mercaptoethyl)ethylenediamine
• 英文别名: N,N'-bis(2-mercapto-2-methylpropyl)-1,2-diaminoethane；N,N'-bis(2-methyl-2-mercaptopropyl)ethylenendiamine；2,2,9,9-tetramethyl-4,7-diaza-1,10-decanedithiol；2,9-dimethyl-4,7-diaza-2,9-decanedithiol；2,9-dimethyl-4,7-diazadecane-2,9-dithiol；2,9-dimethyl-4,7-aza-2,9-decanedithiol；N,N'-bis(2-mercapto-2-methylpropyl)ethylenediamine；2-methyl-1-[2-[(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol
• CAS: 57443-14-8
• 化学式: C₁₀H₂₄N₂S₂
• 分子量: 236.446
• InChiKey: VDCKNAOHKCIAOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26.1
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N'-bis(2,2-dimethyl-2-mercaptoethyl)ethylenediamine 在 氨 、 水 、 potassium carbonate 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 乙腈 为溶剂， 反应 0.5h， 生成 N-Boc-N'-(5-carboethoxypentyl)-N,N'-bis-(2-(4-methoxybenzylthio)-2-methylpropyl)ethylenediamine
  参考文献：
  名称：

  FUNCTIONALIZED BISAMINOTHIOL DERIVATIVES, COMPLEXES WITH THESE BISAMINOTHIOL DERIVATIVES AND USE OF SAID COMPLEXES AS DIAGNOSTICS AND THERAPEUTICS

  摘要：

  本发明涉及一种通式为I的化合物，其中A是从由选中的一组螯合剂；k在每次出现时独立地为0、1或2；m在每次出现时独立地为1、2、3、4或5；n在每次出现时独立地为0、1、2或3；p在每次出现时独立地为1、2或3；q在每次出现时独立地为1、2或3；u在每次出现时独立地为0或1；X和Y是取代或未取代的氨基酸；L是选自的双功能连接基团；其中v、x和y彼此独立地为0、1、2或3，而z为0、1、2、3、4或5；R是H、甲基或乙基。

  公开号：

  EP4282438A1
• 作为产物：
  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：

文献信息

• Radiolabeled vasoactive intestinal peptides for diagnosis and therapy
  申请人：Diatide, Inc.

  公开号：US06007792A1

  公开（公告）日：1999-12-28

  This invention relates to radiotherapeutic reagents and peptides, radiodiagnostic reagents and peptides, and methods for producing labeled radiodiagnostic and radiotherapeutic agents. Specifically, the invention relates to vasoactive intestinal peptide receptor binding peptides, derivatives and analogues of vasoactive intestinal peptide, and embodiments of such peptides radiolabeled with a radioisotope, as well as methods and kits for making, radiolabeling and using such peptides for radiodiagnostic and radiotherapeutic purposes. The invention specifically relates to vasoactive intestinal peptide receptor binding peptide derivatives and analogues of vasoactive intestinal peptide radiolabeled with technetium-99m and uses thereof as scintigraphic imaging agents. The invention also specifically relates to vasoactive intestinal peptide receptor binding peptide derivatives and analogues of vasoactive intestinal peptide radiolabeled with cytotoxic radioisotopes such as rhenium-186 (.sup.186 Re) and rhenium-188 (.sup.188 Re) for use as radiotherapeutic agents. Methods and kits for making, radiolabeling and using such peptides diagnostically and therapeutically in a mammalian body are also provided.

  这项发明涉及放射治疗试剂和肽，放射诊断试剂和肽，以及制备标记的放射诊断和放射治疗剂的方法。具体而言，该发明涉及与肠道血管活性肽受体结合的肽，肠道血管活性肽的衍生物和类似物，以及用放射性同位素标记的这些肽的实施例，以及用于制备、标记和使用这些肽进行放射诊断和放射治疗目的的方法和试剂盒。该发明具体涉及与钼-99m标记的肠道血管活性肽受体结合肽衍生物和肠道血管活性肽的类似物，以及将其用作闪烁显像剂的用途。该发明还具体涉及与放射性同位素（如铼-186（^186Re）和铼-188（^188Re））标记的肠道血管活性肽受体结合肽衍生物和肠道血管活性肽的类似物，用作放射治疗剂的用途。还提供了在哺乳动物体内诊断和治疗地制备、标记和使用这些肽的方法和试剂盒。
• DIAGNOSIS, TREATMENT AND PREVENTION OF NEUROTENSIN RECEPTOR-RELATED CONDITIONS
  申请人：Friedrich-Alexander-Universität Erlangen-Nürnberg

  公开号：EP3279197A1

  公开（公告）日：2018-02-07

  The present invention describes a compound of formula (I) which can be used in the diagnosis, treatment or prevention of neurotensin receptor-related conditions such as tumors and hematological malignancies.

  本发明描述了一种化合物，其化学式为（I），可用于诊断、治疗或预防与神经肽受体相关的疾病，如肿瘤和血液恶性肿瘤。
• Neurotensin receptor ligands
  申请人：3B Pharmaceuticals GmbH

  公开号：EP2740726A1

  公开（公告）日：2014-06-11

  The present invention is related to neurotensin receptor antagonists of formula (I): wherein R1 is selected from the group consisting of hydrogen, methyl and cyclopropylmethyl; AA-COOH is an amino acid selected from the group consisting of 2-amino-2-adamantane carboxylic acid, cyclohexylglycine and 9-amino-bicyclo[3.3.1]nonane-9-carboxylic acid; R2 is selected from the group consisting of (C1-C6)alkyl, (C3-C8)cycloalkyl, (C3-C8)cycloalkylmethyl, halogen, nitro and trifluoromethyl; ALK is (C2-C5)alkylidene; R3, R4 and R5 are each and independently selected from the group consisting of hydrogen and (C1-C4)alkyl under the proviso that one of R3, R4 and R5 is of the following formula (II) wherein ALK' is (C2-C5)alkylidene; R6 is selected from the group consisting of hydrogen and (C1-C4)alkyl; and R7 is selected from the group comprising H, Acceptor, -[Acceptor-Effector], -[Linker-Acceptor], and -[Linker-Acceptor-Effector], wherein Acceptor is a moiety which mediates linking of an Effector to the N atom of formula (II) or which mediates linking of the Effector to the Linker, Effector is selected from the group comprising a diagnostically active agent and a therapeutically active agent, Linker is a moiety which links the Acceptor to the N atom of formula (II), -[Acceptor-Effector] is a moiety where the Effector is complexed or covalently bound to the Acceptor, -[Linker-Acceptor] is a moiety where the Linker is conjugated to the Acceptor, and -[Linker-Acceptor-Effector] is a moiety where the Linker is conjugated to the Acceptor, whereby the Effector is complexed or covalently bound to the Acceptor; or a pharmacologically acceptable salt, solvate or hydrate thereof.

  本发明涉及公式(I)的神经肽受体拮抗剂：其中R1选自氢、甲基和环丙基；AA-COOH是选自2-氨基-2-脱氢肌酸、环己甘氨酸和9-氨基-双环[3.3.1]壬烷-9-羧酸的氨基酸；R2选自(C1-C6)烷基、(C3-C8)环烷基、(C3-C8)环烷基甲基、卤素、硝基和三氟甲基；ALK是(C2-C5)烷基亚烷基；R3、R4和R5分别且独立地选自氢和(C1-C4)烷基，但是R3、R4和R5中的一个符合以下公式(II)：其中ALK'是(C2-C5)烷基亚烷基；R6选自氢和(C1-C4)烷基；R7选自包括H、受体、-[受体-效应子]、-[连接剂-受体]和-[连接剂-受体-效应子]的群，其中受体是介导将效应子连接到公式(II)的N原子的基团或将效应子连接到连接剂的基团，效应子选自包括诊断活性剂和治疗活性剂的群，连接剂是将受体连接到公式(II)的N原子的基团，-[受体-效应子]是效应子与受体形成络合物或共价结合的基团，-[连接剂-受体]是连接剂与受体结合的基团，-[连接剂-受体-效应子]是连接剂与受体结合的基团，效应子与受体形成络合物或共价结合；或其药理学上可接受的盐、溶剂或水合物。
• Conjugate comprising a neurotensin receptor ligand
  申请人：3B Pharmaceuticals GmbH

  公开号：EP2954933A1

  公开（公告）日：2015-12-16

  The present invention is related to a conjugate comprising a structure of general formula (I)         [TM1] - [AD1] - [LM] - [AD2] - [TM2]     (I), wherein TM1 is a first targeting moiety, wherein the first targeting moiety is capable of binding to a first target, AD1 is a first adapter moiety or is absent, LM is a linker moiety or is absent, AD2 is a second adapter moiety or is absent, and TM2 is a second targeting moiety, wherein the second targeting moiety is capable of binding to a second target; wherein the first targeting moiety and/or the second targeting moiety is a compound of formula (II): wherein R1 is selected from the group consisting of hydrogen, methyl and cyclopropylmethyl; AA-COOH is an amino acid selected from the group consisting of 2-amino-2-adamantane carboxylic acid, cyclohexylglycine and 9-amino-bicyclo[3.3.1]nonane-9-carboxylic acid; R2 is selected from the group consisting of (C1-C6)alkyl, (C3-C8)cycloalkyl, (C3C8)cycloalkylmethyl, halogen, nitro and trifluoromethyl; ALK is (C2-C5)alkylidene; R3, R4 and R5 are each and independently selected from the group consisting of hydrogen and (C1-C4)alkyl under the proviso that one of R3, R4 and R5 is of the following formula (III) wherein ALK' is (C2-C5)alkylidene; R6 is selected from the group consisting of hydrogen and (C1-C4)alkyl; and R7 is a bond; or a pharmacologically acceptable salt, solvate or hydrate thereof.

  本发明涉及一种包含一般式（I）结构的结合物，其中TM1是第一靶向基团，第一靶向基团能够结合到第一个靶标，AD1是第一适配基团或者不存在，LM是连接基团或者不存在，AD2是第二适配基团或者不存在，TM2是第二靶向基团，第二靶向基团能够结合到第二个靶标；其中第一靶向基团和/或第二靶向基团是式（II）化合物之一：其中R1选自氢、甲基和环丙基甲基组成的群；AA-COOH是选自2-氨基-2-环戊烷羧酸、环己基甘氨酸和9-氨基-双环[3.3.1]壬烷-9-羧酸组成的氨基酸；R2选自（C1-C6）烷基、（C3-C8）环烷基、（C3-C8）环烷基甲基、卤素、硝基和三氟甲基的群；ALK是（C2-C5）烷基亚基；R3、R4和R5各自独立地选自氢和（C1-C4）烷基，但是在R3、R4和R5中的一个符合以下式（III）：其中ALK'是（C2-C5）烷基亚基；R6选自氢和（C1-C4）烷基；R7是键；或其药理学上可接受的盐、溶剂或水合物。
• Radiolabelling Method Using Polymers
  申请人：Gacek Michel

  公开号：US20080305042A1

  公开（公告）日：2008-12-11

  The present invention provides a method for the preparation of radioisotopically-labelled imaging agent compositions. The method uses precursors which are bound to soluble polymers, so that the radiolabelling reaction is carried out in solution. Also described are radiopharmaceutical compositions, automated versions of the radiolabelling method and disposable cassettes for use in the automated method.

  本发明提供了一种制备放射性同位素标记成像剂组合物的方法。该方法使用与可溶性聚合物结合的前体物质，使放射标记反应在溶液中进行。还描述了放射性药物组合物、放射标记方法的自动化版本以及用于自动化方法的一次性盒子。