(2S,3R)-N'-hydroxy-N'-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide

• 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
• 英文名称: (2S,3R)-N'-hydroxy-N'-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide
• 化学式: C₂₃H₃₁N₃O₄S₂
• 分子量: 477.6
• InChiKey: ZBHBUOXVTRBLKZ-QYZOEREBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  32
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  166
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• METHODS FOR IMAGING BONE PRECURSOR CELLS USING DUAL-LABELED IMAGING AGENTS TO DETECT MMP-9 POSITIVE CELLS
  申请人：Davis Elizabeth A.

  公开号：US20140178293A1

  公开（公告）日：2014-06-26

  The present invention includes embodiments for methods and compositions that identify the presence of or risk for developing heterotopic ossification, particularly prior to mineralization of the bone. In particular embodiments, MMP-9 and/or MMP-2 agents comprising dual imaging moieties are used to identify patterns of MMP-9 and/or MMP-2 localization, respectively, that is then predictive of heterotopic ossification.