(2S,3R)-N-hydroxy-N'-[(2S)-1-(1H-indol-3-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2S,3R)-N-hydroxy-N'-[(2S)-1-(1H-indol-3-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide
• 化学式: C₂₈H₃₃N₃O₄
• 分子量: 475.588
• InChiKey: PJKWYBIJVPNFJI-FBLLAGFSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  35
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  111
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (S)-(-)-4-苄基氧氮杂环戊烷-2,5-二酮 在 N-甲基吗啉 、 三氯化铝 、 O-(叔丁基二甲基硅烷)羟胺 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (2S,3R)-N-hydroxy-N'-[(2S)-1-(1H-indol-3-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide
  参考文献：
  名称：

  Aryl ketones as novel replacements for the C-terminal amide bond of succinyl hydroxamate MMP inhibitors

  摘要：

  A series of succinyl hydroxamate MMP inhibitors were prepared incorporating an aryl amino ketone moiety in place of the more typical C-terminal amino acid amides. Compounds of the C-terminal ketone series displayed potent inhibition of MMPs. Several compounds of the series were shown to be orally bioavailable. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00597-6

文献信息

• Metalloprotein inhibitors containing nitrogen based ligands
  申请人：Cohen Seth M.

  公开号：US20120135959A1

  公开（公告）日：2012-05-31

  Provided herein metalloproteinase inhibitors containing nitrogen or mixed nitrogen/oxygen donating zinc binding groups. Also provided are pharmaceutical compositions containing the compounds and methods of treating preventing or ameliorating the diseases associated with metalloproteinase activity using the compounds and compositions.

  本文提供了含有氮或混合氮/氧供体锌结合基团的金属蛋白酶抑制剂。还提供了含有这些化合物的药物组合物，以及使用这些化合物和组合物治疗、预防或改善与金属蛋白酶活性相关的疾病的方法。
• 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.