6-amino-1-(4-methoxy-phenyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one | 180028-93-7

• 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: 6-amino-1-(4-methoxy-phenyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
• 英文别名: 6-Amino-1-(4-methoxy-phenyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-on；6-amino-1-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one；6-amino-1-(4-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
• CAS: 180028-93-7
• 化学式: C₁₁H₁₁N₃O₂S
• 分子量: 249.293
• InChiKey: VSTCCVWZTADGQN-UHFFFAOYSA-N

物化性质

• 熔点：
  212-213 °C
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  99.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-amino-1-(4-methoxy-phenyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one 在 甲酸 、 sodium dithionite 、 氨 作用下， 以 水 为溶剂， 反应 2.05h， 生成 5,6-diamino-1-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
  参考文献：
  名称：

  WO2007/120097

  摘要：

  公开号：
• 作为产物：
  描述：

  氰乙酸乙酯 、 对甲氧基苯基硫脲 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 17.0h， 以81%的产率得到6-amino-1-(4-methoxy-phenyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
  参考文献：
  名称：

  Shishoo; Jain; Jain, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1996, vol. 35, # 7, p. 662 - 668

  摘要：

  DOI：

文献信息

• Novel amino substituted pyrimidinone derivatives
  申请人：ORCHID CHEMICALS & PHARMACEUTICALS LIMITED

  公开号：US20030232813A1

  公开（公告）日：2003-12-18

  The present invention relates to novel amino substituted pyrimidinone derivatives of the general formula (I), their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their hydrates, their solvates, their pharmaceutically acceptable salts and pharmaceutically acceptable compositions containing them. The present invention more particularly provides novel amino substituted pyrimidinone derivatives of the general formula (I) and a method thereof. 1

  本发明涉及新颖的氨基取代嘧啶酮衍生物，其一般式为（I），它们的衍生物，类似物，互变异构体，立体异构体，多晶型，水合物，溶剂化物，药学上可接受的盐和含有它们的药学上可接受的组合物。本发明更特别地提供了一种新的氨基取代嘧啶酮衍生物的制备方法和一般式（I）。
• Thioxanthine Derivatives and Their Use as Inhibitors of MPO
  申请人：Pivonka Donald

  公开号：US20090286813A1

  公开（公告）日：2009-11-19

  There are disclosed novel compounds of Formula (I) wherein R 1 , X and Y are as defined in the specification, and pharmaceutically acceptable salts thereof; together with processes for their preparation, compositions containing them and their use in therapy. The compounds are inhibitors of the enzyme MPO and are thereby particularly useful in the treatment or prophylaxis of neuroinflammatory disorders, cardio- and cerebrovascular atherosclerotic disorders and peripheral artery disease and respiratory disorders.

  本发明公开了式（I）的新化合物，其中R1，X和Y如规范中所定义，并且其药学上可接受的盐；以及它们的制备方法，含有它们的组合物以及它们在治疗中的用途。这些化合物是MPO酶的抑制剂，因此在治疗或预防神经炎性疾病，心血管和脑血管动脉粥样硬化性疾病和周围动脉疾病以及呼吸系统疾病中特别有用。
• [EN] NOVEL AMINO SUBSTITUTED PYRIMIDINONE DERIVATIVES<br/>[FR] NOUVEAUX DERIVES DE PYRIMIDINONE AMINO-SUBSTITUES
  申请人：ORCHID CHEMICALS & PHARM LTD

  公开号：WO2003084936A2

  公开（公告）日：2003-10-16

  The present invention relates to novel amino substituted pyrimidinone derivatives of the general formula (I), their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their hydrates, their solvates, their pharmaceutically acceptable salts and pharmaceutically acceptable compositions containing them. The present invention more particularly provides novel amino substituted pyrimidinone derivatives of the general formula (I) and a method thereof.
• 10.1016/j.bioorg.2024.107759
  作者：Abdelaal, Hend I.、Mohamed, Abdalla R.、Abo-Ashour, Mahmoud F.、Giovannuzzi, Simone、Fahim, Samar H.、Abdel-Aziz, Hatem A.、Supuran, Claudiu T.、Abou-Seri, Sahar M.

  DOI：10.1016/j.bioorg.2024.107759

  日期：——
• Shishoo; Jain; Jain, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1996, vol. 35, # 7, p. 662 - 668
  作者：Shishoo、Jain、Jain、Shah、Ravikumar

  DOI：——

  日期：——