2-(benzyloxy)-N-(9,10-dioxo-9,10-dihydrophenanthren-2-yl)acetamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 2-(benzyloxy)-N-(9,10-dioxo-9,10-dihydrophenanthren-2-yl)acetamide
• 英文别名: 2-Benzyloxy-N-(9,10-dioxo-9,10-dihydro-phenanthren-2-yl)-acetamide；N-(9,10-dioxophenanthren-2-yl)-2-phenylmethoxyacetamide
• 化学式: C₂₃H₁₇NO₄
• 分子量: 371.392
• InChiKey: HOABQFONODKQTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  72.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-硝基菲醌 在 palladium on activated charcoal 、 氢气 、 sodium carbonate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 2.08h， 生成 2-(benzyloxy)-N-(9,10-dioxo-9,10-dihydrophenanthren-2-yl)acetamide
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS OF MAKING EXPANDED HEMATOPOIETIC STEM CELLS USING PTEN INHIBITORS
  [FR] COMPOSITIONS ET MÉTHODES DE PRODUCTION DE CELLULES SOUCHES HÉMATOPOÏÉTIQUES EXPANSÉES À L'AIDE D'INHIBITEURS DE PTEN

  摘要：

  本发明涉及一些方面，包括用于维持、增强和扩展非动员周围血源造血干细胞的化合物、方法、系统和组合物。本文还提供了一些公式I的化合物，这些化合物可用于维持、增强和扩展造血干细胞。

  公开号：

  WO2018217567A1

文献信息

• Cd45 inhibitors
  申请人：——

  公开号：US20030207812A1

  公开（公告）日：2003-11-06

  Substituted phenanthrene-9,10-diones in accord with structural diagram I, 1 compositions thereof and methods for the use thereof, for the treatment of T cell mediated conditions such as autoimmune diseases and organ graft rejection. In compounds of the invention, R 1 at each occurrence is independently selected from hydrogen, halogen, NH-tosyl, N-di-tosyl, NH 2 , NO 2 , NH—CO—R 2 , CO—NH—R 2 , Ar, (CH 2 ) n CH(COOH)R 3 COR 3 and NHCOCH 2 CH(COOH)NHR 4 , where R 2 , R 3 and R 4 are a selected from a variety of substituted or unsubstituted alkyl and aryl groupstand oligopeptides.

  根据结构图I，以及其中的苯并蒽-9,10-二酮，其组成物和使用方法，用于治疗T细胞介导的情况，如自身免疫疾病和器官移植排斥。在本发明的化合物中，每个出现的R1独立地选自氢、卤素、NH-对甲苯磺酰基、N-二对甲苯磺酰基、NH2、NO2、NH-CO-R2、CO-NH-R2、Ar、(CH2)nCH(COOH)R3COR3和NHCOCH2CH(COOH)NHR4，其中R2、R3和R4选自各种取代或未取代的烷基和芳基以及寡肽。
• Potent Reversible Inhibitors of the Protein Tyrosine Phosphatase CD45
  作者：Rebecca A. Urbanek、Suzanne J. Suchard、Gary B. Steelman、Katharine S. Knappenberger、Linda A. Sygowski、Chris A. Veale、Marc J. Chapdelaine

  DOI：10.1021/jm000447i

  日期：2001.5.1

  The cytosolic portion of CD45, a major transmembrane glycoprotein found on nucleated hematopoietic cells, contains protein tyrosine phosphatase activity and is critical for T-cell receptor-mediated T-cell activation. CD45 inhibitors could have utility in the treatment of autoimmune disorders and organ graft rejection. A number of 9, l0-phenanthrenediones were identified that reversibly inhibited CD45-mediated p-nitrophenyl phosphate (pNPP) hydrolysis. Chemistry efforts around the 9,10-phenanthrenedione core led to the most potent inhibitors known to date. In a functional assay, the compounds were also potent inhibitors of T-cell receptor-mediated proliferation, with activities in the low micromolar range paralleling their enzyme inhibition. It was also discovered that the nature of modification to the phenanthrenedione pharmacophore could affect selectivity for CD45 over PTP1B (protein tyrosine phosphatase 1B) or vice versa.
• CD45 INHIBITORS
  申请人：AstraZeneca AB

  公开号：EP1242363A2

  公开（公告）日：2002-09-25
• COMPOSITIONS AND METHODS OF MAKING EXPANDED HEMATOPOIETIC STEM CELLS USING PTEN INHIBITORS
  申请人：Transfusion Health, LLC

  公开号：EP3630956A1

  公开（公告）日：2020-04-08
• [EN] CD45 INHIBITORS<br/>[FR] INHIBITEURS DE CD45
  申请人：ASTRAZENECA AB

  公开号：WO2001046125A2

  公开（公告）日：2001-06-28

  Substituted phenantheren-9, 10-diones in accord with structural diagram (I), compositions thereof and methods for the use thereof, for the treatment of T cell mediated conditions such as autoimmune diseases and organ graft rejection. In compounds of the invention, R1 at each occurrence is independently selected from hydrogen, halogen, NH-tosyl, N-di-tosyl, NH¿2?, NO2, NH-CO-R?2¿, CO-NH-R2, Ar, (CH¿2?)nCH(COOH)R?3 COR3¿ and NHCOCH¿2?CH(COOH)NHR?4¿, where R?2, R3 and R4¿ are a selected from a variety of substituted or unsubstituted alkyl and aryl groups and oligopeptides.