7,8-didemethylriboflavin | 21631-17-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: 7,8-didemethylriboflavin
• 英文别名: 10-D-ribitol-1-yl-10H-benzo[g]pteridine-2,4-dione；10-D-Ribit-1-yl-10H-benzo[g]pteridin-2,4-dion；10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
• CAS: 21631-17-4
• 化学式: C₁₅H₁₆N₄O₆
• 分子量: 348.315
• InChiKey: ATANIONNQLTUND-UMNHJUIQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  155
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氢氧化钾 作用下， 生成 7,8-didemethylriboflavin
  参考文献：
  名称：

  ÜberFormoine II

  摘要：

  DOI：

  10.1002/hlca.193501801157

文献信息

• Synthesis and Electrochemical Properties of Structurally Modified Flavin Compounds
  作者：Madina Mansurova、Melissa S. Koay、Wolfgang Gärtner

  DOI：10.1002/ejoc.200800504

  日期：2008.11

  Four structurally modified flavin compounds have been synthesized and characterized for their redox potential by chemical reduction with sodium dithionite. Besides the previously reported 1- and 5-deazariboflavin, a 7,8-didemethyl derivative and an 8-isopropylriboflavin have been obtained. The synthesis of these compounds started in all cases from appropriately substituted anilines that were condensed

  已经合成了四种结构改性的黄素化合物，并通过用连二亚硫酸钠化学还原来表征它们的氧化还原电位。除了先前报道的 1- 和 5- 脱氮杂核黄素外，还获得了 7,8- 二甲基衍生物和 8-异丙基核黄素。在所有情况下，这些化合物的合成都是从适当取代的苯胺开始，该苯胺与核糖基链缩合，然后完成退火的三环结构。双去甲基和异丙基化合物的吸收最大值与核黄素相似（分别为 436 和 448 nm），而 1-去氮杂核黄素显示出红移吸收（λmax = 537 nm），而 5-去氮杂核黄素则显示出红移吸收（λmax = 400 纳米）。四种修饰的黄素化合物的中点电位 (E0') 通过电位滴定法测定，使用核黄素作为参考化合物。两种烷基改性黄素的负中点电位略低，而与参考化合物相比，两种脱氮化合物具有更多的负中点值。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany
• SUPRAMOLECULAR SYSTEMS BASED ON DYNAMIC SELF-ORGANIZING NANOSTRUCTURES WITH ANTIVIRAL PROPERTIES
  申请人：Farber, Boris Slavinovich

  公开号：EP3922347A1

  公开（公告）日：2021-12-15

  Methods of producing supramolecular structures using molecular recognition and methods of controlling the size of the nanoparticles produced to form discrete particles. Pharmaceutical formulations of the supramolecular structures for viral infections treatments. Supramolecular nanoparticles may comprise combinatorial carboxylated cobalamins; combinatorial carboxylated dipyridamoles; and basic amino acid polypeptides. The supramolecular nanoparticles are dynamic self-organizing soluble nanostructures which have a plurality of binding components, organic cores, and terminating components. The binding components include combinatorial carboxylated cobalamins with binding regions. The organic cores include combinatorial carboxylated dipyridamole adapted to bind to the combinatorial carboxylated cobalamins such that the organic cores can provide a mechanical structure for the self-organizing soluble nanostructures and a first type of inclusion complexes. The supramolecular nanoparticles include terminating components with at least one terminating binding element capable of binding to a residual binding region of a binding components.

  利用分子识别技术生产超分子结构的方法，以及控制所生产的纳米颗粒大小以形成离散颗粒的方法。用于病毒感染治疗的超分子结构药物制剂。超分子纳米颗粒可包括组合羧化钴胺、组合羧化二吡啶酰胺和碱性氨基酸多肽。超分子纳米颗粒是动态自组织可溶性纳米结构，具有多个结合成分、有机核心和终止成分。结合组分包括具有结合区域的组合羧化钴胺。有机核心包括组合羧化二吡啶脒，适于与组合羧化钴胺结合，从而使有机核心可为自组织可溶性纳米结构和第一类包合物复合物提供机械结构。超分子纳米颗粒包括终止组分，其中至少有一个终止结合元件能够与结合组分的残余结合区域结合。
• Supramolecular systems based on dynamic self-organizing nanostructures with antiviral properties
  申请人：Farber Boris

  公开号：US11160878B1

  公开（公告）日：2021-11-02

  Methods of producing supramolecular structures using molecular recognition and methods of controlling the size of the nanoparticles produced to form discrete particles. Pharmaceutical formulations of the supramolecular structures for viral infections treatments. Supramolecular nanoparticles may comprise combinatorial carboxylated cobalamins; combinatorial carboxylated dipyridamoles; and basic amino acid polypeptides. The supramolecular nanoparticles are dynamic self-organizing soluble nanostructures which have a plurality of binding components, organic cores, and terminating components. The binding components include combinatorial carboxylated cobalamins with binding regions. The organic cores include combinatorial carboxylated dipyridamole adapted to bind to the combinatorial carboxylated cobalamins such that the organic cores can provide a mechanical structure for the self-organizing soluble nanostructures and a first type of inclusion complexes. The supramolecular nanoparticles include terminating components with at least one terminating binding element capable of binding to a residual binding region of a binding components.

  利用分子识别技术生产超分子结构的方法，以及控制所生产的纳米颗粒大小以形成离散颗粒的方法。用于病毒感染治疗的超分子结构药物制剂。超分子纳米颗粒可包括组合羧化钴胺、组合羧化二吡啶酰胺和碱性氨基酸多肽。超分子纳米颗粒是动态自组织可溶性纳米结构，具有多个结合成分、有机核心和终止成分。结合组分包括具有结合区域的组合羧化钴胺。有机核心包括组合羧化二吡啶脒，适于与组合羧化钴胺结合，从而使有机核心可为自组织可溶性纳米结构和第一类包合物复合物提供机械结构。超分子纳米颗粒包括终止组分，其中至少有一个终止结合元件能够与结合组分的残余结合区域结合。
• Über Formoine II
  作者：P. Karrer、Carlo Musante

  DOI：10.1002/hlca.193501801157

  日期：——