3-(2-hydroxyethyl)-1-methylquinazoline-2,4(1H,3H)-dione

• 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: 3-(2-hydroxyethyl)-1-methylquinazoline-2,4(1H,3H)-dione
• 英文别名: 3-(2-hydroxyethyl)-1-methyl-2,4(1H,3H)-quinazolinedione；3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione
• 化学式: C₁₁H₁₂N₂O₃
• 分子量: 220.228
• InChiKey: MTMVQZYXOQGNPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  60.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(2-hydroxyethyl)-1-methylquinazoline-2,4(1H,3H)-dione 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 以83%的产率得到(1-methyl-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl)-acetaldehyde
  参考文献：
  名称：

  [EN] VMAT INHIBITORY COMPOUNDS
  [FR] COMPOSÉS INHIBITEURS DE VMAT

  摘要：

  公开号：

  WO2016019312A3
• 作为产物：
  描述：

  N-甲基蒽 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 3-(2-hydroxyethyl)-1-methylquinazoline-2,4(1H,3H)-dione
  参考文献：
  名称：

  Design, synthesis, and evaluation of novel 1-methyl-3-substituted quinazoline-2,4-dione derivatives as antimicrobial agents

  摘要：

  A series of novel 1-methyl-3-substituted quinazoline-2,4-dione derivatives was designed, synthesized, and evaluated for their antimicrobial activities against six strains of bacteria and five fungi in vitro. The synthesized compounds were characterized by spectral methods. The bioactive assays showed that most of the compounds exhibited moderate antimicrobial activities against the tested strains.

  DOI：

  10.1007/s00044-013-0813-z

文献信息

• Bicyclic heterocyclyl containing N-(bicyclic
  申请人：Janssen Pharmaceutica N.V.

  公开号：US04695569A1

  公开（公告）日：1987-09-22

  Bicyclic heterocyclyl containing N-(bicyclic heterocyclyl)-4-piperidinamines having antihistaminic and serotonin-antagonistic properties which compounds are useful agents in the treatment of allergic diseases.

  含有N-(双环杂环基)-4-哌啶胺的双环杂环基化合物具有抗组胺和5-羟色胺拮抗性质，这些化合物是治疗过敏性疾病的有效药物。
• Method of determining potential allosterically-binding matrix metalloproteinase inhibitors
  申请人：Andrianjara Charles

  公开号：US20050004126A1

  公开（公告）日：2005-01-06

  Compounds are provided that bind allosterically to the catalytic domain of MMP-13 and comprise a hydrophobic group, first and second hydrogen bond acceptors and at least one, and preferably both, of a third hydrogen bond acceptor and a second hydrophobic group. Cartesian coordinates for centroids of the above features are defined in the specification. When the ligand binds to MMP-13, the first, second and third (when present) hydrogen bond acceptors bond respectively with Thr245, Thr 247 and Met 253, the first hydrophobic group locates within the S1′ channel of MMP-13 and the second hydrophobic group (when present) is relatively open to solvent. The compounds specifically inhibit the matrix metalloproteinase-13 enzyme and thus are useful for treating diseases resulting from tissue breakdown, such as heart disease, multiple sclerosis, arthritis, atherosclerosis, and osteoporosis.

  提供了一种与MMP-13催化域发生变构作用的化合物，其中包括一个疏水基团、第一和第二氢键受体以及至少一个第三氢键受体和第二个疏水基团，最好是两者都有。上述特征的笛卡尔坐标在说明书中有定义。当配体与MMP-13结合时，第一、第二和第三（存在时）氢键受体分别与Thr245、Thr 247和Met 253结合，第一疏水基团位于MMP-13的S1'通道内，第二疏水基团（存在时）相对于溶剂较为开放。这些化合物特异性地抑制了基质金属蛋白酶-13酶，因此可用于治疗由组织分解引起的疾病，如心脏病、多发性硬化症、关节炎、动脉粥样硬化和骨质疏松症。
• Anti-allergic bicyclic heterocyclyl-containing N-(bicyclic
  申请人：Janssen Pharmaceutica N.V.

  公开号：US05126339A1

  公开（公告）日：1992-06-30

  Bicyclic heterocyclyl containing N-(bicyclic heterocyclyl)-4-piperidinamines having antihistaminic and serotonin-antagonistic properties which compounds are useful agents in the treatment of allergic diseases.

  含有双环杂环基的N-(双环杂环基)-4-哌啶胺，具有抗组胺和血清素拮抗性质的双环杂环基化合物是治疗过敏性疾病的有用药物。
• 1-(5-methyl-furan-2-ylmethyl)-N-(4-piperidinyl)imidazo
  申请人：Janssen Pharmaceutica N.V.

  公开号：US04888426A1

  公开（公告）日：1989-12-19

  Bicyclic heterocyclyl containing N-(bicyclic heterocyclyl)-4-piperidinamines having antihistaminic and serotonin-antagonistic properties which compounds are useful agents in the treatment of allergic diseases.

  含有N-(双环杂环基)-4-哌啶胺的双环杂环基的自行车状化合物，具有抗组胺和抗血清素作用，这些化合物是治疗过敏性疾病的有用药物。
• VMAT INHIBITORY COMPOUNDS
  申请人：Oregon Health & Science University

  公开号：US20160031852A1

  公开（公告）日：2016-02-04

  Disclosed herein are compounds that bind to the vesicular monoamine transporter 2 (VMAT2), pharmaceutical compositions comprising those compounds, and methods of treatment using said compounds and pharmaceutical compositions.

  本文揭示了与囊泡式单胺转运体2（VMAT2）结合的化合物，包括这些化合物的制药组合物，以及使用这些化合物和制药组合物的治疗方法。