4-[1,2,3,4-tetrahydroquinazolin-2,4-dion-3-yl]benzenesulfonamide | 4392-51-2

• 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: 4-[1,2,3,4-tetrahydroquinazolin-2,4-dion-3-yl]benzenesulfonamide
• 英文别名: 4-(2,4-dioxo-1H-quinazolin-3-yl)benzenesulfonamide
• CAS: 4392-51-2
• 化学式: C₁₄H₁₁N₃O₄S
• 分子量: 317.325
• InChiKey: DMATXPACUMAKGW-UHFFFAOYSA-N

物化性质

• 密度：
  1.514±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[1,2,3,4-tetrahydroquinazolin-2,4-dion-3-yl]benzenesulfonamide 在 氨 、 sodium hydride 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 生成 4-[2-(2-hydroxyethoxy)methyl-1,2,3,4-tetrahydroquinazolin-2,4-dion-3-yl]benzenesulfonamide
  参考文献：
  名称：

  SOME ASPECTS ON ACYCLO- 4-[QUINAZOLIN-3-YL]BENZENESULFONAMIDE NON-NUCLEOSIDES SYNTHESIS

  摘要：

  The reaction of 4-[1,2,3,4-tetrahydroquinazolin-2,4-dion-3-yl]benzenesulfonamide 4 and 4-[2-thioxo-1,2,3,4 tetrahydroquniazolin-4-on-3-yl]benznesulfonamide 5 with chloromethylethyl ether; chloromethylbenzyl ether; and (2-acetoxyethoxy)methyl bromide afforded compounds 7a-c, 8a,b, and 13 which are analogues to MKC-442, TNK 561, and HEPT.

  DOI：

  10.1080/10426500490459678
• 作为产物：
  描述：

  dimethyl N-<4-(4-oxo-2-thioxo-1,2,3,4-tetrahydro-3-quinazolinylphenylsulphonyl)>dithiocarbonoimidate 在 氯乙酸 作用下， 反应 24.0h， 以82%的产率得到4-[1,2,3,4-tetrahydroquinazolin-2,4-dion-3-yl]benzenesulfonamide
  参考文献：
  名称：

  SOME ASPECTS ON ACYCLO- 4-[QUINAZOLIN-3-YL]BENZENESULFONAMIDE NON-NUCLEOSIDES SYNTHESIS

  摘要：

  The reaction of 4-[1,2,3,4-tetrahydroquinazolin-2,4-dion-3-yl]benzenesulfonamide 4 and 4-[2-thioxo-1,2,3,4 tetrahydroquniazolin-4-on-3-yl]benznesulfonamide 5 with chloromethylethyl ether; chloromethylbenzyl ether; and (2-acetoxyethoxy)methyl bromide afforded compounds 7a-c, 8a,b, and 13 which are analogues to MKC-442, TNK 561, and HEPT.

  DOI：

  10.1080/10426500490459678

文献信息

• Fused pyramidine derivative and use thereof
  申请人：Hamamura Kazumasa

  公开号：US20070010537A1

  公开（公告）日：2007-01-11

  There are provided a fused pyrimidine compound having antagonistic activity against luteinizing hormone releasing hormone, and a medicine containing the compound. A luteinizing hormone releasing hormone antagonist containing a compound represented by the formula: wherein R 1a is a hydrocarbon group which may be substituted or a hydrogen atom, ring A a is a 6-membered aromatic ring which may be further substituted, ring B a is a homocyclic or heterocyclic ring which may be further substituted, W a is an oxygen atom or a sulfur atom, X a1 and X a2 , which may be identical or different, are each a hydrogen atom, a hydrocarbon group which may be substituted, or a heterocyclic group which may be substituted, or X a1 and X a2 together may form an oxygen atom, a sulfur atom or NR 3a (wherein R 3a is a hydrocarbon group which may be substituted or a hydrogen atom), and Y a is C 1-6 alkylene which may be substituted or a bond, or a salt or prodrug thereof.

  提供了一种融合嘧啶化合物，具有抗促黄体激素释放激素的拮抗活性，以及含有该化合物的药物。一种促黄体激素释放激素拮抗剂，包含以下式子所代表的化合物：其中，R1a是一个可以被取代的碳氢基团或氢原子，环A是一个可以进一步取代的6元芳香环，环B是一个可以进一步取代的同环或异环，Wa是一个氧原子或硫原子，Xa1和Xa2，可能相同或不同，是每个可以被取代的碳氢基团或杂环基团，或Xa1和Xa2在一起可以形成氧原子、硫原子或NR3a（其中R3a是一个可以被取代的碳氢基团或氢原子），而Y是C1-6烷基，可以被取代或成为键，或其盐或前药。
• SOME ASPECTS ON ACYCLO- 4-[QUINAZOLIN-3-YL]BENZENESULFONAMIDE NON-NUCLEOSIDES SYNTHESIS
  作者：Abd El-Hamid、A. A. Ismail

  DOI：10.1080/10426500490459678

  日期：2004.6

  The reaction of 4-[1,2,3,4-tetrahydroquinazolin-2,4-dion-3-yl]benzenesulfonamide 4 and 4-[2-thioxo-1,2,3,4 tetrahydroquniazolin-4-on-3-yl]benznesulfonamide 5 with chloromethylethyl ether; chloromethylbenzyl ether; and (2-acetoxyethoxy)methyl bromide afforded compounds 7a-c, 8a,b, and 13 which are analogues to MKC-442, TNK 561, and HEPT.