N-{[4-({[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}methyl)-phenyl]methyl}-4,5-bis[2-(ethoxyethylthio)acetylamino]-pentanamide | 355423-79-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: N-{[4-({[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}methyl)-phenyl]methyl}-4,5-bis[2-(ethoxyethylthio)acetylamino]-pentanamide
• 英文别名: (6S,7R,10S)-10-N-[[4-[[4,5-bis[[2-(1-ethoxyethylsulfanyl)acetyl]amino]pentanoylamino]methyl]phenyl]methyl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide
• CAS: 355423-79-9
• 化学式: C₄₅H₆₈N₆O₁₀S₂
• 分子量: 917.201
• InChiKey: FXICXDIXSNRZAD-PORDVAJSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  63
• 可旋转键数：
  24
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  273
• 氢给体数：
  7
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  7-isobutyl-8-oso-2-oxa-9-aza-bicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-6,10-dicarboxylic acid 10-(4-aminomethylbenzylamine) 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-{[4-({[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}methyl)-phenyl]methyl}-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 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。
• EVALUATION OF PRESENCE OF AND VULNERABILITY TO ATRIAL FIBRILLATION AND OTHER INDICATIONS USING MATRIX METALLOPROTEINASE-BASED IMAGING
  申请人：Lantheus Medical Imaging, Inc.

  公开号：US20150023873A1

  公开（公告）日：2015-01-22

  The invention provides, in some embodiments, methods relating to assessing increased risk of developing atrial fibrillation (AF), and/or the likelihood of responding to particular AF therapies using imaging agents comprising an MMP inhibitor linked to an imaging moiety. The invention further provides methods for evaluating the presence of the risk of developing other cardiovascular conditions and assessing the effectiveness of treatment or other intervention for such conditions by determining MMP levels.