AS115 | 926657-43-4

• 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: AS115
• 英文别名: 2-Fluorophenyl (2-{[2-(butoxymethyl)cyclohexyl]methoxy}ethyl)carbamate；(2-fluorophenyl) N-[2-[[2-(butoxymethyl)cyclohexyl]methoxy]ethyl]carbamate
• CAS: 926657-43-4
• 化学式: C₂₁H₃₂FNO₄
• 分子量: 381.488
• InChiKey: BTYYXSHZANWPEB-UHFFFAOYSA-N

物化性质

• 溶解度：
  DMF：12mg/mL； DMSO：12mg/mL；乙醇：30mg/mL；乙醇:PBS (pH 7.2) (1:3): 0.25 mg/ml

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  27
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  56.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  、 2-氟苯酚 在 三乙胺 作用下， 以 甲苯 为溶剂， 生成 AS115
  参考文献：
  名称：

  WO2008/63752

  摘要：

  公开号：

文献信息

• ENZYME REGULATING ETHER LIPID SIGNALING PATHWAYS
  申请人：Cravatt Benjamin F.

  公开号：US20090068107A1

  公开（公告）日：2009-03-12

  A multidimensional profiling strategy that combines activity-based proteomics and metabolomics was used to determine that an active protein, which is a previously uncharacterized enzyme highly elevated in aggressive cancer cells, serves as a central node in an ether lipid signaling network that bridges platelet-activating factor and the lysophospholipids. Biochemical studies confirmed that the active protein regulates this pathway by hydrolyzing the metabolic intermediate 2-acetyl monoalkylglycerol. Inactivation of the active protein disrupted ether lipid metabolism in cancer cells and impaired cell migration and tumor growth in vivo.
• Enzyme Regulating Ether Lipid Signaling Pathways
  申请人：Cravatt Benjamin F.

  公开号：US20130164758A1

  公开（公告）日：2013-06-27

  A multidimensional profiling strategy that combines activity-based proteomics and metabolomics was used to determine that an active protein, which is a previously uncharacterized enzyme highly elevated in aggressive cancer cells, serves as a central node in an ether lipid signaling network that bridges platelet-activating factor and the lysophospholipids. Biochemical studies confirmed that the active protein regulates this pathway by hydrolyzing the metabolic intermediate 2-acetyl monoalkylglycerol. Inactivation of the active protein disrupted ether lipid metabolism in cancer cells and impaired cell migration and tumor growth in vivo.
• US8940497B2
  申请人：——

  公开号：US8940497B2

  公开（公告）日：2015-01-27
• [EN] AN ENZYME REGULATING ETHER LIPID SIGNALING PATHWAYS<br/>[FR] ENZYME RÉGULANT LES VOIES DE SIGNALISATION DES LIPIDES D'ÉTHER
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2008063752A2

  公开（公告）日：2008-05-29

  [EN] A multidimensional profiling strategy that combines activity-based proteomics and metabolomics was used to determine that an active protein, which is a previously uncharacterized enzyme highly elevated in aggressive cancer cells, serves as a central node in an ether lipid signaling network that bridges platelet-activating factor and the lysophospholipids. Biochemical studies confirmed that the active protein regulates this pathway by hydrolyzing the metabolic intermediate 2-acetyl monoalkylglycerol. Inactivation of the active protein disrupted ether lipid metabolism in cancer cells and impaired cell migration and tumor growth in vivo.
  [FR] Selon l'invention, on a utilisé une technique de profilage multidimensionnel combinant la protéomique basée sur l'activité et la métabolomique pour établir qu'une protéine active, soit une enzyme non caractérisée précédemment dont la concentration est très élevée dans les cellules cancéreuses agressives, sert de noeud central dans un réseau de signalisation des lipides d'éther formant un pont entre le facteur d'activation plaquettaire et les lysophospholipides. Des études biochimiques ont confirmé que cette protéine active régule ladite voie par hydrolyse du 2-acétyl monoalkylglycérol intermédiaire métabolique. L'inactivation de cette protéine active perturbe le métabolisme des lipides d'éther dans les cellules cancéreuses et réduit la migration cellulaire et la croissance tumorale in vivo.
• WO2008/63752
  申请人：——

  公开号：——

  公开（公告）日：——