1-[[3-(Diethylamino)-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]-2-methylpropane-2-thiol

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-[[3-(Diethylamino)-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]-2-methylpropane-2-thiol
• 化学式: C₁₅H₃₅N₃S₂
• 分子量: 321.6
• InChiKey: ZLRLPDXVDFDSMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.3
• 氢给体数：
  4
• 氢受体数：
  5

文献信息

• Diagnostic radiopharmaceutical compounds
  申请人：THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

  公开号：EP0200211A1

  公开（公告）日：1986-11-05

  A radiopharmaceutical chemical compound is claimed comprising radioactive Technetium-99m having the structure: wherein each R1, R2, R3, R4, R5, Re, R7 and Ra, is independently selected from at least one of hydrogen and substituted or unsubstituted alkyl, alkenyl, alkynyl, cycloalkyl, heterocyclic alkyl, aryl, carboxylic acid ester, and carboxylic acid amide; provided at least one of R1, R2, R3, R4, R6, R6, R7, and R8, contains at least one nitrogen atom. The non-isotope containing ligand precursor compounds and the diene intermediate to the ligand are also claimed. Compounds of this structure comprising Technetium-99m have a lipophilicity sufficiently high at a pH of 7.6 to permit passage of the compounds from the blood of a mammal into a target organ or tissue and sufficiently low at a pH of 6.6 to prevent rapid return of the compounds from the target organ or tissue to the blood. A method and kit for selectively depositing a radiopharmaceutical compound in at least one target tissue or organ of a mammal, which tissue or organ has a significantly different intracellular pH than the blood of the mammal, by introducing one or more compounds of the invention into the bloodstream of the mammal.

  权利要求1.一种放射性药物化学合成物，其放射性锝-99m的结构如下 其中每个R1、R2、R3、R4、R5、Re、R7和Ra独立地选自氢和取代或未取代的烷基、烯基、炔基、环烷基、杂环烷基、芳基、羧酸酯和羧酸酰胺中的至少一种；条件是R1、R2、R3、R4、R6、R6、R7和R8中的至少一种含有至少一个氮原子。还要求不含同位素的配体前体化合物和配体的二烯中间体。 这种结构的含锝-99m的化合物在pH值为7.6时具有足够高的亲脂性，可使化合物从哺乳动物的血液中进入靶器官或组织，而在pH值为6.6时具有足够低的亲脂性，可防止化合物从靶器官或组织迅速返回血液。 一种方法和试剂盒，通过将一种或多种本发明的化合物引入哺乳动物的血液，选择性地将放射性药物化合物沉积在哺乳动物的至少一个靶组织或器官中，该组织或器官的细胞内pH值与哺乳动物的血液有明显不同。