(2R,3S)-N-[(2S)-1-[2-[2-[2-[[(3S)-4-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propylamino]-3-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethylamino]-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide | 1357346-98-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 生物素及其衍生物
• 英文名称: (2R,3S)-N-[(2S)-1-[2-[2-[2-[[(3S)-4-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propylamino]-3-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethylamino]-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
• CAS: 1357346-98-5
• 化学式: C₅₁H₈₀F₄N₁₂O₁₅S
• 分子量: 1209.33
• InChiKey: NBYXBAVRMDTRFQ-AZBFINMJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  83
• 可旋转键数：
  42
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  371
• 氢给体数：
  11
• 氢受体数：
  22

反应信息

• 作为产物：
  描述：

  、 在 (1-cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylaminomorpholinocarbenium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 以23%的产率得到(2R,3S)-N-[(2S)-1-[2-[2-[2-[[(3S)-4-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propylamino]-3-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethylamino]-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
  参考文献：
  名称：

  Labeling and enrichment of Arabidopsis thaliana matrix metalloproteases using an active-site directed, marimastat-based photoreactive probe

  摘要：

  Matrix metalloproteases (MMPs) are secreted or membrane-bound zinc-containing proteases that play diverse roles in development and immunity in plants and in tissue remodeling in animals. We developed a photoreactive probe based on the MMP inhibitor marimastat, conjugated to a 4-azidotetrafluorobenzoyl moiety as photoreactive group and biotin as detection or sorting function. The probe labels At2-MMP, At4-MMP, At5-MMP, and likely other plant MMPs in leaf extracts, as shown by transient At-MMP expression in Nicotiana benthamiana, protein blot, and LC-MS/MS analysis. This MMP probe is a valuable tool to study the post-translational status of MMPs during plant immunity and other MMP-regulated processes. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2011.06.068

文献信息

• [EN] POLYCYCLIC GUANINE DERIVATIVE PHOSPHODIESTERASE V INHIBITORS<br/>[FR] INHIBITEURS DE LA PHOSPHODIESTERASE V DE DERIVES POLYCYCLIQUES DE GUANINE
  申请人：SCHERING CORP

  公开号：WO2003042216A1

  公开（公告）日：2003-05-22

  A compound having the formula (Ia) or (b), salt or solvate thereof, with the variables as defined herein, which can inhibit selectively phosphodiesterase V and can be useful for treating sexual dysfunction and other physiological disorders, symptoms and diseases

  具有化学式(Ia)或(b)的化合物，其盐或溶剂化物，其中变量的定义如此，可以选择性地抑制磷酸二酯酶V，并可用于治疗性功能障碍和其他生理障碍、症状和疾病。
• Isolation and Functional Identification of Cells
  申请人：Dreger Mathias

  公开号：US20130295636A1

  公开（公告）日：2013-11-07

  The invention relates to a method for tagging, identifying and isolating a target cell, wherein the cell is contacted with a capture compound comprising a small molecule moiety, for example a pharmaceutical drug molecule, capable of selectively binding with the cell surface of the target cell, and a function that is capable to covalently or quasi-covalently bind to a surface as a marker or tagging function. In some embodiments the capture compound also includes a photoactivatable reactivity function. The capture compound attaches to a particle that mediates identification or isolation of the tagged cell.
• US9550978B2
  申请人：——

  公开号：US9550978B2

  公开（公告）日：2017-01-24