7-methoxy-3-methylquinazoline-2,4(1h,3H)-dione | 917342-83-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 7-methoxy-3-methylquinazoline-2,4(1h,3H)-dione
• 英文别名: 7-methoxy-3-methyl-1H-quinazoline-2,4-dione
• CAS: 917342-83-7
• 化学式: C₁₀H₁₀N₂O₃
• 分子量: 206.201
• InChiKey: BRCQVBZXLJPYBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-methoxy-3-methylquinazoline-2,4(1h,3H)-dione 在 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 反应 20.0h， 生成 2-Chloro-7-methoxy-3-methyl-4(3H)-quinazolinone
  参考文献：
  名称：

  Identification and optimization of a new series of anti-tubercular quinazolinones

  摘要：

  A high throughput phenotypic screening against Mycobacterium smegmatis led us to the discovery of a new class of bacteriostatic, highly hydrophobic antitubercular quinazolinones that potently inhibited the in vitro growth of either extracellular or intramacrophagic M. tuberculosis (Mtb), via modulation of an unidentified but yet novel target. Optimization of the initial hit compound culminated in the identification of potent but poorly soluble Mtb growth inhibitors, three of which were progressed to in vivo efficacy studies. Despite nanomolar in vitro potency and attractive PK properties, none of these compounds was convincingly potent in our in vivo mouse tuberculosis models. This lack of efficacy may be linked to the poor drug-likeness of the test molecules and/or to the properties of the target.[GRAPHICS](C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.09.043
• 作为产物：
  描述：

  2-氨基-4-甲氧基苯甲酸 在 1-羟基苯并三唑 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 生成 7-methoxy-3-methylquinazoline-2,4(1h,3H)-dione
  参考文献：
  名称：

  Identification and optimization of a new series of anti-tubercular quinazolinones

  摘要：

  A high throughput phenotypic screening against Mycobacterium smegmatis led us to the discovery of a new class of bacteriostatic, highly hydrophobic antitubercular quinazolinones that potently inhibited the in vitro growth of either extracellular or intramacrophagic M. tuberculosis (Mtb), via modulation of an unidentified but yet novel target. Optimization of the initial hit compound culminated in the identification of potent but poorly soluble Mtb growth inhibitors, three of which were progressed to in vivo efficacy studies. Despite nanomolar in vitro potency and attractive PK properties, none of these compounds was convincingly potent in our in vivo mouse tuberculosis models. This lack of efficacy may be linked to the poor drug-likeness of the test molecules and/or to the properties of the target.[GRAPHICS](C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.09.043

文献信息

• PLATELET ADP RECEPTOR INHIBITORS
  申请人：SCARBOROUGH ROBERT M.

  公开号：US20080194597A1

  公开（公告）日：2008-08-14

  Novel compounds of formulae (I) to (VIII), which more particularly include sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives which are effective platelet ADP receptor inhibitors. These derivatives may be used in various pharmaceutical compositions, and are particularly effective for the prevention and/or treatment of cardiovascular diseases, particularly those diseases related to thrombosis. The invention also relates to a method for preventing or treating thrombosis in a mammal comprising the step of administering a therapeutically effective amount of a compound of formulae (I) to (VIII), or a pharmaceutically acceptable salt thereof.

  化合物的式子(I)到(VIII)，其中更特别地包括磺酰脲衍生物、磺酰硫脲衍生物、磺酰胍衍生物、磺酰氰胍衍生物、硫代酰基磺酰胺衍生物和酰基磺酰胺衍生物，这些衍生物是有效的血小板ADP受体抑制剂。这些衍生物可以用于各种制药组合物中，特别是对于预防和/或治疗心血管疾病，特别是与血栓形成有关的疾病非常有效。本发明还涉及一种预防或治疗哺乳动物血栓形成的方法，包括给予化合物的式子(I)到(VIII)或其药学上可接受的盐的治疗有效量。
• Compounds for the treatment of multi-drug resistant bacterial infections
  申请人：AstraZeneca AB

  公开号：US07875715B2

  公开（公告）日：2011-01-25

  The present invention relates to compounds that demonstrate antibacterial activity, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment of bacterial infections in warm-blooded animals such as humans. In particular this invention relates to compounds useful for the treatment of bacterial infections in warm-blooded animals such as humans, more particularly to the use of these compounds in the manufacture of medicaments for use in the treatment of bacterial infections in warm-blooded animals such as humans.

  本发明涉及表现出抗菌活性的化合物，其制备过程，含有其作为活性成分的药物组合物，以及它们作为药物的使用和用于制造用于治疗温血动物（如人类）细菌感染的药物的使用。特别地，本发明涉及用于治疗温血动物（如人类）细菌感染的有用化合物，更具体地涉及这些化合物用于制造用于治疗温血动物（如人类）细菌感染的药物。
• COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS
  申请人：Breault Gloria

  公开号：US20110092495A1

  公开（公告）日：2011-04-21

  The present invention relates to compounds that demonstrate antibacterial activity, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment of bacterial infections in warm-blooded animals such as humans. In particular this invention relates to compounds useful for the treatment of bacterial infections in warm-blooded animals such as humans, more particularly to the use of these compounds in the manufacture of medicaments for use in the treatment of bacterial infections in warm-blooded animals such as humans.

  本发明涉及表现出抗菌活性的化合物，其制备过程，含有它们作为活性成分的制药组合物，它们作为药物的使用以及它们在制造用于治疗温血动物（如人类）细菌感染的药物中的使用。特别是本发明涉及用于治疗温血动物（如人类）细菌感染的有用化合物，更具体地涉及这些化合物在制造用于治疗温血动物（如人类）细菌感染的药物中的使用。
• WO2006/134378
  申请人：——

  公开号：——

  公开（公告）日：——
• US7358257B2
  申请人：——

  公开号：US7358257B2

  公开（公告）日：2008-04-15