3,5-Dinitro-benzenethiol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,5-Dinitro-benzenethiol
• 英文别名: 3,5-Dinitrobenzenethiol
• 化学式: C₆H₄N₂O₄S
• 分子量: 200.175
• InChiKey: XPORHLAFAGPQJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-氨基-8-甲基-2,4,9-噻唑双环[4.3.0]壬烷-3,7,10-三烯-5-酮 、 3,5-Dinitro-benzenethiol 在 碘 作用下， 以 乙醇 、 水 为溶剂， 生成 2-Amino-5-(3,5-dinitro-phenylsulfanyl)-6-methyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
  参考文献：
  名称：

  新型的2-氨基-4-氧代-5-芳硫基取代的吡咯并[2,3-d]嘧啶类化合物是胸苷酸合酶的非经典抗叶酸抑制剂。

  摘要：

  合成了17种新颖的2-氨基-4-氧代-5-[（取代的苯基）硫代]吡咯并[2,3-d]嘧啶类化合物，作为胸苷酸合酶（TS）的潜在抑制剂和抗肿瘤剂。该类似物在侧链的苯环上包含各种吸电子取代基，被评估为人类TS（hTS）和大肠杆菌TS以及人类和大肠杆菌二氢叶酸还原酶（DHFR）的抑制剂。类似物14、17和18是hTS的有效抑制剂，IC50值分别为0.28、0.21和0.22 microM，并且比临床使用的ZD1694、2和LY231514、3对人TS的抑制作用更强。

  DOI：

  10.1016/j.bmcl.2005.03.029

文献信息

• Sulfoximine-macrocycle compounds and salts thereof, pharmaceutical compositions comprising said compounds, methods of preparing same and uses of same
  申请人：Luecking Ulrich

  公开号：US20060252782A1

  公开（公告）日：2006-11-09

  The invention relates to macrocyctic sulfoximines of the general Formula I: wherein A, X, Y, R 1 , R 2 and R 3 have the meaning as given in the specification and the claims, and to salts thereof; to pharmaceutical compositions comprising the macrocyclic sulfoximines, and to a method of preparing the macrocyclic sulfoximines, as well as the use thereof for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth, wherein the compounds effectively interfere with angiopoietin and therefore influence Tie2 signalling.

  本发明涉及通式I的大环磺酰胺，其中A、X、Y、R1、R2和R3的含义如说明书和权利要求书中所述，以及其盐；涉及含有该大环磺酰胺的制药组合物，以及制备该大环磺酰胺的方法，以及将其用于制造治疗失调血管生长病或伴随失调血管生长的疾病的药物组合物的用途，其中该化合物有效干扰血管生成素，从而影响Tie2信号传导。
• MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME
  申请人：TOKYO INSTITUTE OF TECHNOLOGY

  公开号：EP1862453A1

  公开（公告）日：2007-12-05

  Enediyne compounds of the formula: (1) characterized in that the structure thereof is very simple and the production process is easy, and that the molecular length thereof is shorter than those of compounds having been proposed. Consequently, electrode assemblies comprising any of these enediyne compounds are highly promising in the application to nanomolecular wiring (nanomolecular wire) whose production has been difficult.

  式（1）的烯二炔化合物：(1)的烯二乙烯化合物，其特点是结构非常简单，生产工艺简单，分子长度比已提出的化合物短。因此，由这些烯二炔化合物组成的电极组件在应用于纳米分子布线（纳米分子线）方面具有很大的前景，而纳米分子线的生产一直很困难。
• SULFOXIMINE-PYRIMIDINE MACROCYCLES AND THE SALTS THEREOF, A PROCESS FOR MAKING THEM, AND THEIR PHARMACEUTICAL USE AGAINST CANCER
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP1879900A2

  公开（公告）日：2008-01-23
• Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same
  申请人：Fujihira Masamichi

  公开号：US20090036698A1

  公开（公告）日：2009-02-05

  Enediyne compounds of the formula: (1) characterized in that the structure thereof is very simple and the production process is easy, and that the molecular length thereof is shorter than those of compounds having been proposed. Consequently, electrode assemblies comprising any of these enediyne compounds are highly promising in the application to nanomolecular wiring (nanomolecular wire) whose production has been difficult.
• US7659416B2
  申请人：——

  公开号：US7659416B2

  公开（公告）日：2010-02-09