6-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[g]pteridin-10-yl)-hexanoic acid | 20781-15-1

• 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: 6-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[g]pteridin-10-yl)-hexanoic acid
• 英文别名: 6-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)hexanoic acid；10-(ω-Carboxy-pentyl)-7,8-dimethyl-isoalloxazin；6-(7,8-Dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)hexanoic acid
• CAS: 20781-15-1
• 化学式: C₁₈H₂₀N₄O₄
• 分子量: 356.381
• InChiKey: IKKQTGFOOOVETC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[g]pteridin-10-yl)-hexanoic acid 在 palladium 10% on activated carbon 氯化亚砜 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.67h， 生成 6-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N-hydroxyhexanamide
  参考文献：
  名称：

  [EN] FLAVIN DERIVATIVES
  [FR] DÉRIVÉS DE LA FLAVINE

  摘要：

  本发明涉及新型黄素衍生物和其他黄素衍生物，它们的用途以及用作核糖开关配体和/或抗感染剂的组合物。该发明还提供了制备新型黄素衍生物的方法。

  公开号：

  WO2010019208A1
• 作为产物：
  描述：

  在 滴滴涕 、 溶剂黄146 、 sodium nitrite 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 生成 6-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[g]pteridin-10-yl)-hexanoic acid
  参考文献：
  名称：

  由可被酶激活的肽核酸偶联物诱导的序列特异性核酸损伤。

  摘要：

  DOI：

  10.1002/anie.200601681

文献信息

• Pna-Neamine Conjugates and Methods for Producing and Using the Same
  申请人：Decout Jean-Luc

  公开号：US20070225239A1

  公开（公告）日：2007-09-27

  The present invention relates to methods and compositions pertaining to conjugates composed of a peptide nucleic acid (PNA) moiety and a neamine derivative moiety. Methods for using such conjugates for modulating the activity of a target nucleic acid molecule and for preventing or treating a disease associated with an aberrant nucleic acid molecule are also provided.

  本发明涉及一种由肽核酸（PNA）部分和奈胺衍生物部分组成的共轭物的方法和组合物。还提供了使用这种共轭物来调节靶核酸分子活性以及预防或治疗与异常核酸分子相关的疾病的方法。
• FLAVIN DERIVATIVES
  申请人：Gadwood Robert

  公开号：US20120077781A1

  公开（公告）日：2012-03-29

  The present invention relates novel flavin derivatives and other flavin derivatives, their use and compositions for use as riboswitch ligands and/or anti-infectives. The invention also provides method of making novel flavin derivatives.

  本发明涉及新型的黄素衍生物和其他黄素衍生物，它们的用途和组合物用作核糖开关配体和/或抗感染剂。本发明还提供了制备新型黄素衍生物的方法。
• A route for preparing new neamine derivatives targeting HIV-1 TAR RNA
  作者：Emmanuel Riguet、Jérôme Désiré、Christian Bailly、Jean-Luc Décout

  DOI：10.1016/j.tet.2004.06.122

  日期：2004.9

  In the search for molecules possessing antibiotic or antiviral properties and ribonuclease like activity, that is, able to induce the cleavage of bacterial or viral RNA targets, we report a new route for preparing selectively neamine derivatives modified at their 4- and/or 5-hydroxyl functions. Using trityl protective groups for the amino functions and 4-methoxybenzyl groups for the hydroxyl functions, new neamine derivatives, such as histidine, phenanthroline, flavin, adenine conjugates were efficiently obtained after a single deprotection step under acid conditions. For the first time, 4-modified neamine derivatives were prepared. Most of the 4'-derivatives showed affinity and selectivity for TAR RNA close to those of the corresponding 5-derivatives. The most potent compound is the 4'-histidine derivative 31 which binds more tightly to TAR RNA compared to its 5-isomer and neamine and recognizes selectively TAR oligonucleotides having a bulge. (C) 2004 Elsevier Ltd. All rights reserved.
• [EN] FLAVIN DERIVATIVES<br/>[FR] DÉRIVÉS DE LA FLAVINE
  申请人：BIORELIX PHARMACEUTICALS INC

  公开号：WO2010019208A1

  公开（公告）日：2010-02-18

  The present invention relates novel flavin derivatives and other flavin derivatives, their use and compositions for use as riboswitch ligands and/or anti-infectives. The invention also provides method of making novel flavin derivatives.

  本发明涉及新型黄素衍生物和其他黄素衍生物，它们的用途以及用作核糖开关配体和/或抗感染剂的组合物。该发明还提供了制备新型黄素衍生物的方法。
• Sequence-Specific Nucleic Acid Damage Induced by Peptide Nucleic Acid Conjugates That Can Be Enzyme-Activated
  作者：Philippe Simon、Jean-Luc Décout、Marc Fontecave

  DOI：10.1002/anie.200601681

  日期：2006.10.20