1,1'-(1,3,7,9-tetrahydroxydibenzofuran-2,6-diyl) bis(3-methylbutan-1-one) | 1220283-64-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 1,1'-(1,3,7,9-tetrahydroxydibenzofuran-2,6-diyl) bis(3-methylbutan-1-one)
• 英文别名: 1,1''-(1,3,7,9-Tetrahydroxydibenzofuran-2,6-diyl)bis(3-methylbutan-1-one)；3-methyl-1-[1,3,7,9-tetrahydroxy-6-(3-methylbutanoyl)dibenzofuran-2-yl]butan-1-one
• CAS: 1220283-64-6
• 化学式: C₂₂H₂₄O₇
• 分子量: 400.428
• InChiKey: NSJHIYMKOLGKSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  128
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1,3,5-三甲氧基苯 在 aluminum (III) chloride 、 氢溴酸 、 碘 、 碘酸 、 铜 作用下， 以 二硫化碳 、 乙醇 、 氯仿 、 水 、 溶剂黄146 为溶剂， 反应 21.25h， 生成 1,1'-(1,3,7,9-tetrahydroxydibenzofuran-2,6-diyl) bis(3-methylbutan-1-one)
  参考文献：
  名称：

  [EN] INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE AND METHODS OF USE THEREOF
  [FR] INHIBITEURS DE FRUCTOSE-1,6-BISPHOSPHATASE ET PROCÉDÉS POUR LES UTILISER

  摘要：

  公开号：

  WO2010091185A3

文献信息

• INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE AND METHODS OF USE THEREOF
  申请人：Kantrowitz Evan R.

  公开号：US20120028892A1

  公开（公告）日：2012-02-02

  The invention is directed to a compound according to formula (I). The compounds of formula (I) include prodrugs, pharmaceutically acceptable salts, stereoisomer mixtures, and enantiomers thereof. The invention is also directed to a pharmaceutical composition comprising a compound according to formula (I) and a pharmaceutically acceptable carrier and to methods for treating diabetes by administering such a pharmaceutical composition alone or in combination with other therapeutic agents. The invention is also directed to inhibitors of fructose-1,6-bisphosphatase.

  该发明涉及一种符合式（I）的化合物。符合式（I）的化合物包括前药、药物可接受的盐、立体异构体混合物及其对映体。该发明还涉及一种药物组合物，包括符合式（I）的化合物和药物可接受的载体，以及通过单独或与其他治疗剂联合给药该药物组合物治疗糖尿病的方法。该发明还涉及果糖-1,6-二磷酸酶的抑制剂。
• Dibenzofuran derivatives as inhibitors of fructose 1,6-bisphosphatase and methods of use thereof
  申请人：Kantrowitz Evan R.

  公开号：US09273021B2

  公开（公告）日：2016-03-01

  The invention is directed to a compound according to formula (I). The compounds of formula (I) include prodrugs, pharmaceutically acceptable salts, stereoisomer mixtures, and enantiomers thereof. The invention is also directed to a pharmaceutical composition comprising a compound according to formula (I) and a pharmaceutically acceptable carrier and to methods for treating diabetes by administering such a pharmaceutical composition alone or in combination with other therapeutic agents. The invention is also directed to inhibitors of fructose-1,6-bisphosphatase.

  本发明涉及一种按照式(I)的化合物。式(I)的化合物包括前药、药学上可接受的盐、立体异构体混合物及其对映体。本发明还涉及一种包括按照式(I)的化合物和药学上可接受的载体的药物组合物，以及通过单独或与其他治疗剂联合给予这种药物组合物治疗糖尿病的方法。本发明还涉及果糖-1,6-二磷酸酶抑制剂。
• Designing inhibitors against fructose 1,6-bisphosphatase: Exploring natural products for novel inhibitor scaffolds
  作者：Sabrina Heng、Katharine M. Harris、Evan R. Kantrowitz

  DOI：10.1016/j.ejmech.2009.12.055

  日期：2010.4

  Natural products often contain unusual scaffold structures that may be elaborated by combinatorial methods to develop new drug-like molecules. Visual inspection of more than 128 natural products with some type of anti-diabetic activity suggested that a subset might provide novel scaffolds for designing potent inhibitors against fructose 1,6-bisphosphatase (FBPase), an enzyme critical in the control of gluconeogenesis. Using in silico docking methodology, these were evaluated to determine those that exhibited affinity for the AMP binding site. Achyrofuran from the South American plant Achyrocline satureoides, was selected for further investigation. Using the achyrofuran scaffold, inhibitors against FBPase were developed. Compounds 15 and 16 inhibited human liver and pig kidney FBPases at IC50 values comparable to that of AMP, the natural allosteric inhibitor. (C) 2010 Elsevier Masson SAS. All rights reserved.
• US9273021B2
  申请人：——

  公开号：US9273021B2

  公开（公告）日：2016-03-01