2,4-二羟基噻吩并[3,4-d]嘧啶 | 6251-30-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 中文名称: 2,4-二羟基噻吩并[3,4-d]嘧啶
• 英文名称: thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione
• 英文别名: Thieno<4,3-d>uracil；thieno[3,4-d]pyrimidin-2,4-dione；1H-thieno[3,4-d]pyrimidine-2,4-dione；thiopheno[3,4-d]pyrimidine-2,4(1H,3H)-dione；thieno[3,4-d]pyrimidine-2,4-dione；1H-thieno[3,4-d]pyrimidine-2,4-dione
• CAS: 6251-30-5
• 化学式: C₆H₄N₂O₂S
• mdl: MFCD10000793
• 分子量: 168.176
• InChiKey: RZBNSEBSVPLRMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,4-二羟基噻吩并[3,4-d]嘧啶 在 四(三苯基膦)钯 、 potassium carbonate 、 三氯氧磷 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 7.0h， 生成 2-Chloro-4-phenylthieno[3,4-d]pyrimidine
  参考文献：
  名称：

  유기 화합물 및 이를 포함하는 유기 전계 발광 소자

  摘要：

  这项发明涉及一种新化合物及其包含的有机电致发光器件，根据本发明的化合物可用于有机电致发光器件的有机层，特别是用于发光层，可以提高有机电致发光器件的发光效率、驱动电压、寿命等。

  公开号：

  KR20150036982A
• 作为产物：
  描述：

  4-氨基噻吩-3-羧酸甲酯 在 sodium methylate 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 25.0h， 生成 2,4-二羟基噻吩并[3,4-d]嘧啶
  参考文献：
  名称：

  Selective Kainate Receptor (GluK1) Ligands Structurally Based upon 1H-Cyclopentapyrimidin-2,4(1H,3H)-dione: Synthesis, Molecular Modeling, and Pharmacological and Biostructural Characterization

  摘要：

  The physiological function of kainate receptors (GluK1-GluK5) in the central nervous system is not fully understood yet. With the aim of developing potent and selective GluK1 ligands, we have synthesized a series of new thiophene-based GluK1 agonists (6a-c) and antagonists (7a-d). Pharmacological evaluation revealed that they are selective for the GluK1 subunit, with 7b being the most subtype-selective ligand reported to date (GluK1 vs GluK3). The antagonist 7a was cocrystallized with the GluK1 ligand binding domain, and an X-ray crystallographic analysis revealed the largest flexibility in GluK1 ligand binding domain opening upon binding of a ligand seen to date. The results provide new insights into the molecular Mechanism of GluK1 receptor ligand binding and pave the way to the development of new tool compounds for studying kainate receptor function.

  DOI：

  10.1021/jm2004078

文献信息

• Real-Time Monitoring of Human Guanine Deaminase Activity by an Emissive Guanine Analog
  作者：Marcela S. Bucardo、You Wu、Paul T. Ludford、Yao Li、Andrea Fin、Yitzhak Tor

  DOI：10.1021/acschembio.1c00232

  日期：2021.7.16

  substrates. We demonstrate that, unlike the thieno analog, thGN, the isothiazolo guanine surrogate, tzGN, does undergo effective enzymatic deamination by GDA and yields the spectroscopically distinct xanthine analog, tzXN. Further, we showcase the potential of this fluorescent nucleobase surrogate to provide a visible spectral window for a real-time study of GDA and its inhibition.

  鸟嘌呤脱氨酶 (GDA) 将鸟嘌呤脱氨基为黄嘌呤。尽管具有重要意义，但与其他代谢脱氨酶相比，人类 GDA 的研究仍然有限。因此，其底物和抑制剂库有限，并且缺乏有效的实时活性、抑制和发现分析。在此，我们探索了两种基于噻吩并[3,4- d ]嘧啶（ th N ）和异噻唑[4,3- d ]嘧啶（ tz N ）的发射杂环核作为替代GDA底物。我们证明，与噻吩并类似物th G N不同，异噻唑并鸟嘌呤替代物tz G N确实通过 GDA 进行有效的酶促脱氨基作用，并产生光谱上不同的黄嘌呤类似物tz X N 。此外，我们展示了这种荧光核碱基替代物为 GDA 及其抑制的实时研究提供可见光谱窗口的潜力。
• A highly fluorescent nucleoside analog based on thieno[3,4-d]pyrimidine senses mismatched pairing
  作者：Seergazhi G. Srivatsan、Haim Weizman、Yitzhak Tor

  DOI：10.1039/b801054d

  日期：——

  A highly emissive nucleobase analog, based on a thieno[3,4-d]pyrimidine core, is enzymatically incorporated into RNA oilgonucleotides that function as base discriminating fluorescent probes.

  一种基于噻吩并[3,4-d]嘧啶核心的高辐射核碱基类似物通过酶法加入到 RNA 油核苷酸中，可作为碱基识别荧光探针。
• KINASE INHIBITORS
  申请人：Dong Qing

  公开号：US20090247554A1

  公开（公告）日：2009-10-01

  Compounds are provided for use with kinases that comprise (I), (II), (III), (IV): wherein the variables are as defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds; methods and intermediates useful for making the compounds; and methods of using said compounds.

  提供了与包含(I)、(II)、(III)、(IV)的激酶一起使用的化合物：其中变量如本文所定义。还提供了包括这些化合物的药物组合物、工具包和制造物品；用于制备这些化合物的方法和中间体；以及使用这些化合物的方法。
• AMINOPYRROLIDINE COMPOUND
  申请人：Okubo Taketoshi

  公开号：US20090291940A1

  公开（公告）日：2009-11-26

  Disclosed is an aminopyrrolidine compound represented by the formula [I] or a pharmaceutically acceptable salt thereof. The compound or the salt is useful as a prophylactic/therapeutic agent for mode disorder such as depression, anxiety disorder, anorexia, cachexia, pain and drug dependence, whose action relies on the MC 4 receptor antagonistic effect.

  本发明公开了一种氨基吡咯烷化合物，其化学式为[I]，或其药学上可接受的盐。该化合物或其盐可用作预防/治疗药物，针对情绪障碍，如抑郁症、焦虑症、厌食症、消瘦症、疼痛和药物依赖等，其作用依赖于MC4受体拮抗作用。
• 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF
  申请人：Chan Tin-Yau

  公开号：US20110165118A1

  公开（公告）日：2011-07-07

  The present invention relates to 3-Heterocyclic Substituted Indole Derivatives, compositions comprising at least one 3-Heterocyclic Substituted Indole Derivative, and methods of using the 3-Heterocyclic Substituted Indole Derivatives for treating or preventing a viral infection or a virus-related disorder in a patient.

  本发明涉及3-杂环取代吲哚衍生物，包括至少一种3-杂环取代吲哚衍生物的组合物，以及使用3-杂环取代吲哚衍生物治疗或预防患者的病毒感染或病毒相关疾病的方法。