4,5-双-[s-(1-乙氧基乙基)-疏基乙酰胺]-戊酸-2,3,5,6-四氟苯酯 | 125488-70-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 4,5-双-[s-(1-乙氧基乙基)-疏基乙酰胺]-戊酸-2,3,5,6-四氟苯酯
• 英文名称: 2,3,5,6-tetrafluorophenyl 4,5-bis(S-1-ethoxyethyl-mercapto-acetamido)pentanoate
• 英文别名: 2,3,5,6-tetrafluorophenyl-4,5-bis-[S-(1-ethoxyethyl) thioacetamido]pentanoate；Tbemp；(2,3,5,6-tetrafluorophenyl) 4,5-bis[[2-(1-ethoxyethylsulfanyl)acetyl]amino]pentanoate
• CAS: 125488-70-2
• 化学式: C₂₃H₃₂F₄N₂O₆S₂
• 分子量: 572.642
• InChiKey: UFSIKVGARWRNPQ-UHFFFAOYSA-N

物化性质

• 沸点：
  698.7±55.0 °C(Predicted)
• 密度：
  1.286±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  37
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  154
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  7-isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-6,10-dicarboxylic acid 10-{[(3-aminopropylcarbamoyl)methyl]amide}-6-hydroxyamide trifluoroacetic acid salt 、 4,5-双-[s-(1-乙氧基乙基)-疏基乙酰胺]-戊酸-2,3,5,6-四氟苯酯 在 三乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 18.0h， 生成 N-[3-(2-{[7-(N-hydroxycarbamoyl)(3S,6R,7S)-4-aza-6-(2-methylpropyl)-11-oxa-5-oxobicyclo[10.2.2]hexadeca-1(15),12(16),13-trien-3-yl]carbonylamino}acetylamino)propyl]-4,5-bis[2-(ethoxyethylthio)acetylamino]pentanamide
  参考文献：
  名称：

  Matrix metalloproteinase inhibitors

  摘要：

  因此，本发明描述了包含诊断金属和化合物的诊断试剂，其中该化合物包括：1-10个靶向基团；螯合剂；以及靶向基团和螯合剂之间的0-1个连接基团；其中靶向基团是基质金属蛋白酶抑制剂；螯合剂能够与诊断金属结合。本发明还提供了该化合物的新型组合物、试剂盒以及它们在与基质金属蛋白酶相关的疾病诊断中的用途。

  公开号：

  US06656448B1

文献信息

• MATRIX METALLOPROTEINASE INHIBITORS
  申请人：Decicco P. Carl

  公开号：US20050025702A1

  公开（公告）日：2005-02-03

  Thus the present invention describes novel compounds comprising: 1-10 targeting moieties; a chelator (Ch); and 0-1 linking groups (Ln) between the targeting moiety and chelator; wherein the targeting moiety is a matrix metalloproteinase inhibitor; and wherein the chelator is capable of conjugating to a cytotoxic radioisotope. The present invention also provides novel compositions of the compounds of the invention, kits, and their uses in treatment of diseases associated with MMPs.

  因此，本发明描述了包括：1-10个靶向基团；一个螯合剂（Ch）；以及靶向基团和螯合剂之间的0-1个连接基团（Ln）的新化合物；其中，靶向基团是一种基质金属蛋白酶抑制剂；螯合剂能够与细胞毒性放射性同位素结合。本发明还提供了该化合物的新组合物、试剂盒以及它们在治疗与基质金属蛋白酶相关疾病中的用途。
• Method of radiolabeling chelating compounds comprising sulfur atoms with metal radionuclides
  申请人：NEORX CORPORATION

  公开号：EP0300431A2

  公开（公告）日：1989-01-25

  Chelating compounds which comprise one or more sulfur atoms and are to be radiolabeled with metal radionuclides to form the corresponding chelates are disclosed. The chelating compounds comprise thioacetal or hemithioacetal sulfur pro­tecting groups which are displaced during the radiolabeling reaction, which is conducted at acidic pH, such that bonds form between said sulfur atoms and said radionuclide. The resulting metal radionuclide chelates have diagnostic and therapeutic medical uses.

  本发明公开了包含一个或多个硫原子的螯合化合物，这些化合物将用金属放射性核素进行放射性标记以形成相应的螯合物。螯合化合物包含硫代乙醛或半硫代乙醛硫保护基团，这些保护基团在酸性 pH 值下进行的放射性标记反应中被置换，从而在所述硫原子和所述放射性核素之间形成键。由此产生的金属放射性核素螯合物具有诊断和治疗医学用途。
• Matrix metalloproteinase inhibitors and uses thereof
  申请人：Bristol-Myers Squibb Pharma Company

  公开号：EP1772452A2

  公开（公告）日：2007-04-11

  The present invention describes novel compounds comprising: 1-10 targeting moieties; a chelator (Ch); and 0-1 linking groups (Ln) between the targeting moiety and chelator; wherein the targeting moiety is a matrix metalloproteinase inhibitor; and wherein the chelator is capable of conjugating to a cytotoxic radioisotope. The present invention also provides novel compositions of the compounds of the invention, kits, and their uses in treatment of diseases associated with MMPs.

  本发明描述的新型化合物包括1-10个靶向分子；螯合剂（Ch）；以及靶向分子和螯合剂之间的0-1个连接基团（Ln）；其中靶向分子是基质金属蛋白酶抑制剂；以及螯合剂能够与细胞毒性放射性同位素共轭。本发明还提供了本发明化合物的新型组合物、试剂盒及其在治疗与 MMPs 相关疾病中的用途。
• Synthesis and technetium-99m labeling of cyclic GP IIb/IIIa receptor antagonists conjugated to 4,5-bis(mercaptoacetamido)-pentanoic acid (mapt)
  作者：Milind Rajopadhye、D. Scott Edwards、Jeffrey P. Bourque、Timothy R. Carroll

  DOI：10.1016/0960-894x(96)00264-8

  日期：1996.8

  The synthesis of cyclic Arg-Gly-Asp GP Ilb/IIIa receptor antagonists conjugated to 4,5-bis(S-1-ethoxyethyl-mercaptoacetamido)pentanoic acid is reported. The corresponding Tc-99m-labeled complexes were prepared by exchange labeling with Tc-99m-glucoheptonate. This indirect labeling approach is an alternative to the preformed chelate approach using mapt. Copyright (C) 1996 The DuPont Merck Pharmaceutical Company.
• Functionally specific antibodies
  申请人：NEORX CORPORATION

  公开号：EP0331034B1

  公开（公告）日：1994-06-08