1,1'-(9-oxo-9H-fluorene-2,7-diyl)diurea

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 1,1'-(9-oxo-9H-fluorene-2,7-diyl)diurea
• 英文别名: [7-(Carbamoylamino)-9-oxofluoren-2-yl]urea；[7-(carbamoylamino)-9-oxofluoren-2-yl]urea
• 化学式: C₁₅H₁₂N₄O₃
• 分子量: 296.285
• InChiKey: BFSBXEJALMQLHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  127
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,7-二硝基-9-芴酮 在 sodiumsulfide nonahydrate 、 sodium hydroxide 作用下， 以 乙醇 、 水 、 溶剂黄146 为溶剂， 反应 8.0h， 生成 1,1'-(9-oxo-9H-fluorene-2,7-diyl)diurea
  参考文献：
  名称：

  对称的2,7-二取代的芴酮作为尿素转运蛋白抑制剂的发现，合成和结构-活性分析†

  摘要：

  肾 尿素转运蛋白是小分子抑制剂的开发目标，并起着保盐利尿剂的作用。基于细胞的功能性高通量筛选确定了2,7-双乙酰氨基芴酮3是一种新型的抑制剂尿素转运蛋白UT-A1和UT-B。在这里，我们合成了22个2,7-二取代芴酮酰化的类似物。结构-活性关系分析表明：（a）UT抑制需要C9处的羰基部分；（b）对C2，7-取代基的空间限制; （c）新月形结构的重要性。最有效的抑制芴UT-A1和UT-B尿素运输带IC 50〜1μM。肝微粒体中体外代谢稳定性的分析表明，2,7-二取代的芴酮被还原酶代谢并随后被消除。计算对接至UT-A1的同源性模型表明，UT抑制剂在与假定的尿素结合位点不重叠的位点与UT胞质域结合。

  DOI：

  10.1039/c5md00198f

文献信息

• [EN] COMPOSITIONS AND METHODS OF MAKING EXPANDED HEMATOPOIETIC STEM CELLS USING DERIVATIVES OF FLUORENE<br/>[FR] COMPOSITIONS ET PROCÉDÉS DE PRODUCTION DE CELLULES SOUCHES HÉMATOPOÏÉTIQUES EXPANSÉES METTANT EN OEUVRE DES DÉRIVÉS DE FLUORÈNE
  申请人：TRANSFUSION HEALTH LLC

  公开号：WO2019084452A1

  公开（公告）日：2019-05-02

  This invention is directed to, inter alia, compounds, methods, systems, and compositions for the maintenance, enhancement, and expansion of hematopoietic stem cells derived from one or more sources of CD34+ cells. Sources of CD34+ cells include bone marrow, cord blood, mobilized peripheral blood, and non-mobilized peripheral blood. Also provided herein are compounds of Formula I which are useful in maintaining, enhancing, and expanding of hematopoietic stem cells.

  这项发明涉及一些内容，包括用于维持、增强和扩展来源于一个或多个CD34+细胞源的造血干细胞的化合物、方法、系统和组合物。CD34+细胞的来源包括骨髓、脐带血、动员的外周血和非动员的外周血。本文还提供了一些Formula I的化合物，这些化合物在维持、增强和扩展造血干细胞方面是有用的。
• METHODS OF MAKING OLIGOPOTENT AND UNIPOTENT PRECURSORS
  申请人：Transfusion Health, LLC

  公开号：US20220315895A1

  公开（公告）日：2022-10-06

  This disclosure is directed to, inter alia, methods and systems for preparing oligopotent and unipotent progenitor cells of defined lineages in culture from an expanded source of CD34+ cells, media for making the same, and therapeutic compounds and compositions comprising the same for treatment a variety of diseases included, but not limited to, hematologic disorders, immune diseases, cancers, and infectious diseases.

  本公开涉及的是从扩增的CD34+细胞来源中在培养中准备定义谱系的寡能和单能祖细胞的方法和系统，用于制备相应的培养基，以及包含相应的治疗化合物和组合物，用于治疗各种疾病，包括但不限于血液学疾病、免疫性疾病、癌症和传染性疾病。
• COMPOSITIONS AND METHODS OF MAKING EXPANDED HEMATOPOIETIC STEM CELLS USING DERIVATIVES OF FLUORENE
  申请人：Transfusion Health, LLC

  公开号：US20200255371A1

  公开（公告）日：2020-08-13

  This invention is directed to, inter alia, compounds, methods, systems, and compositions for the maintenance, enhancement, and expansion of hematopoietic stem cells derived from one or more sources of CD34+ cells. Sources of CD34+ cells include bone marrow, cord blood, mobilized peripheral blood, and non-mobilized peripheral blood. Also provided herein are compounds of Formula I which are useful in maintaining, enhancing, and expanding of hematopoietic stem cells.
• [EN] METHODS OF MAKING OLIGOPOTENT AND UNIPOTENT PRECURSORS<br/>[FR] PROCÉDÉS DE FABRICATION DE PRÉCURSEURS OLIGOPOTENTS ET UNIPOTENTS
  申请人：TRANSFUSION HEALTH LLC

  公开号：WO2020223517A1

  公开（公告）日：2020-11-05

  This disclosure is directed to, inter alia, methods and systems for preparing oligopotent and unipotent progenitor cells of defined lineages in culture from an expanded source of CD34+ cells, media for making the same, and therapeutic compounds and compositions comprising the same for treatment a variety of diseases included, but not limited to, hematologic disorders, immune diseases, cancers, and infectious diseases.
• Discovery, synthesis and structure–activity analysis of symmetrical 2,7-disubstituted fluorenones as urea transporter inhibitors
  作者：Sujin Lee、Cristina Esteva-Font、Puay-Wah Phuan、Marc O. Anderson、A. S. Verkman

  DOI：10.1039/c5md00198f

  日期：——

  Kidney urea transporters are targets for development of small-moleculeinhibitors with action as salt-sparing diuretics. A cell-based, functional high-throughput screen identified 2,7-bisacetamido fluorenone 3 as a novel inhibitor of urea transporters UT-A1 and UT-B. Here, we synthesized twenty-two 2,7-disubstituted fluorenone analogs by acylation. Structure–activity relationship analysis revealed:

  肾 尿素转运蛋白是小分子抑制剂的开发目标，并起着保盐利尿剂的作用。基于细胞的功能性高通量筛选确定了2,7-双乙酰氨基芴酮3是一种新型的抑制剂尿素转运蛋白UT-A1和UT-B。在这里，我们合成了22个2,7-二取代芴酮酰化的类似物。结构-活性关系分析表明：（a）UT抑制需要C9处的羰基部分；（b）对C2，7-取代基的空间限制; （c）新月形结构的重要性。最有效的抑制芴UT-A1和UT-B尿素运输带IC 50〜1μM。肝微粒体中体外代谢稳定性的分析表明，2,7-二取代的芴酮被还原酶代谢并随后被消除。计算对接至UT-A1的同源性模型表明，UT抑制剂在与假定的尿素结合位点不重叠的位点与UT胞质域结合。