嘧啶并[4,5-d]吡嗪-2,4(1h,3h)-二酮 | 17257-96-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 嘧啶并[4,5-d]吡嗪-2,4(1h,3h)-二酮
• 英文名称: 1,2,3,4-Tetrahydro-pyrimido<4,5-d>pyridazin-2,4-dion
• 英文别名: Pyrimido[4,5-D]pyridazine-2,4(1H,3H)-dione；1H-pyrimido[4,5-d]pyridazine-2,4-dione
• CAS: 17257-96-4
• 化学式: C₆H₄N₄O₂
• mdl: MFCD11111471
• 分子量: 164.123
• InChiKey: OXXOHYAWQSFGSU-UHFFFAOYSA-N

物化性质

• 密度：
  1.522±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  12
• 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：
  84
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  bis(((difluoromethyl)sulfinyl)oxy)zinc 、 嘧啶并[4,5-d]吡嗪-2,4(1h,3h)-二酮 在 叔丁基过氧化氢 、 三氟乙酸 作用下， 以 正壬烷 、 二甲基亚砜 为溶剂， 以20%的产率得到5-(difluoromethyl)-1H-pyrimido[4,5-d]pyridazine-2,4-dione
  参考文献：
  名称：

  用于 PET 成像的具有高摩尔活性的 N-杂芳族化合物的后期 18 F-二氟甲基标记。

  摘要：

  尽管药物化学领域对 CHF 2 的兴趣日益浓厚，但仍缺乏将 CHF 18 F 插入药物化合物中的有效方法。本文描述了广泛用于药物化学的 N-杂芳族化合物的18 F-二氟甲基化的光氧化还原流反应。在新型18 F-二氟甲基化试剂的两步合成之后，光氧化还原反应在两分钟内完成，并通过 CH 激活进行，从而避免了底物预功能化的需要。该方法操作简单，可以直接获得具有高摩尔活性的放射性标记的N-杂芳烃，适合生物体内研究和临床应用。

  DOI：

  10.1002/anie.201907488

文献信息

• CYCLIC BIOISOSTERS OF PURINE SYSTEM DERIVATIVES AND A PHARMACEUTICAL COMPOSITION BASED THEREON
  申请人：Zhilov, Valery Khazhmuratovich

  公开号：EP1655301A1

  公开（公告）日：2006-05-10

  The invention relates to cyclic bioisosteres of derivatives of a purine system having a general structural formula R1 = -H, -NH2, -Br, -C1, -OH, -COOH, B = -N=, -CH=, Z = -CH=, -N=, A = -N= at B = -N=, Z = -CH-, A = -CH= at B = -N=, Z = -CH-, A = -CH= at B = -N=, Z = -N=, A = -CH= at B = -CH=, Z = -CH=, A = -CH= at B = -CH=, Z = -N= , and their pharmacologically acceptable salts having a normalizing effect on endocellular processes, in particular, it is capable eliminating endocellular metabolic acidosis and capable of binding excessively formed free radicals, in particular, free-radical forms of oxygen, capable of normalizing the nitrergic mechanisms of the cells, and also capable of interreacting with adenosine-sensitive receptors on the membrane of non-nuclear cells and in nuclei-containing cells to decrease the aggregation of thrombocytes. The compounds according to the invention have hepatoprotective effect and can be used for producing pharmaceutical compositions on their base.

  本发明涉及嘌呤系统衍生物的环状生物异斯特，其结构通式为 R1 = -H, -NH2, -Br, -C1, -OH, -COOH、 B = -N=，-CH=，Z = -CH=，-N=、 A = -N= at B = -N=, Z = -CH-、 A = -CH= at B = -N=, Z = -CH-、 A = -CH= at B = -N=, Z = -N=、 A = -CH= at B = -CH=，Z = -CH=、 A = -CH= at B = -CH=, Z = -N= 、 及其药理上可接受的盐类，对细胞内过程具有正常化作用，特别是能消除细胞内代谢性酸中毒，能结合过多形成的自由基，特别是氧的自由基形式，能使细胞的硝化机制正常化，还能与无核细胞膜上和含核细胞膜上的腺苷敏感受体相互作用，减少血小板的聚集。本发明的化合物具有保肝作用，可用于生产以其为基础的药物组合物。
• Use of a layer consisting of hydrophobic linear, or two-dimensional polycyclic aromatics as a barrier layer or an encapsulation and electric components constructed with a layer of this type and comprising organic polymers
  申请人：Dobbertin Thomas

  公开号：US20070166547A1

  公开（公告）日：2007-07-19

  The invention relates to cyclic bioisosteres of derivatives of a purine system having a general structural formula R 1 =—H, —NH 2 , —Br, —Cl, —OH, —COOH, B=—N═, —CH═, Z=—CH═, —N═, A=—N═ at B=—N═, Z=—CH—, A=—CH═ at B=—N═, Z=—CH—, A=—CH═ at B=—N═, Z=—N═, A=—CH═ at B=—CH═, Z=—CH═, A=—CH═ at B=—CH═, Z=—N═, and their pharmacologically acceptable salts having a normalizing effect on endocellular processes, in particular, it is capable eliminating endocellular metabolic acidosis and capable of binding excessively formed free radicals, in particular, free-radical forms of oxygen, capable of normalizing the nitrergic mechanisms of the cells, and also capable of interreacting with adenosine-sensitive receptors on the membrane of non-nuclear cells and in nuclei-containing cells to decrease the aggregation of thrombocytes. The compounds according to the invention have hepatoprotective effect and can be used for producing pharmaceutical compositions on their base.
• Cyclic Bioisosters of Derivatives of a Purine System and Pharmaceutical Composition Based Thereon
  申请人：Zhilov Valery Khazhmuratovich

  公开号：US20080194501A1

  公开（公告）日：2008-08-14

  The invention relates to cyclic bioisosteres of derivatives of a purine system having a general structural formula where R═Li, Na, K, R 1 ═—H, —NH 2 , —Br, —Cl, —OH, —COOH, B═—N═, —CH═, Z=-CH═, —N═, A=-N═ at B═—N═, Z=-CH—, A=-CH═ at B═—N═, Z=-CH—, A=-CH═ at B═—N═, Z=-N═, A=-CH═ at B═—CH═, Z=-CH═, A=-CH═ at B═—CH═, Z=-N═, and their pharmacologically acceptable salts having a normalizing effect on endocellular processes, in particular, it is capable eliminating endocellular metabolic acidosis and capable of binding excessively formed free radicals, in particular, free-radical forms of oxygen, capable of normalizing the nitrergic mechanisms of the cells, and also capable of interreacting with adenosine-sensitive receptors on the membrane of non-nuclear cells and in nuclei-containing cells to decrease the aggregation of thrombocytes. The compounds according to the invention have hepatoprotective effect and can be used for producing pharmaceutical compositions on their base.
• US8592421B2
  申请人：——

  公开号：US8592421B2

  公开（公告）日：2013-11-26