2-<(4-methoxybenzyl)thio>-4,6(1H,5H)-pyrimidinedione | 86627-06-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-<(4-methoxybenzyl)thio>-4,6(1H,5H)-pyrimidinedione
• 英文别名: 4,6-dihydroxy-2-<(4-methoxybenzyl)thio>pyrimidine；4,6-dihydroxy-2-(4-methoxyphenylmethylthio)-pyrimidine；4,6-dihydroxy-2-(4-methoxy-benzylsulfanyl)-pyrimidine；4,6-dihydroxy-2-(4-methoxybenzylsulfanyl)pyrimidine；2-p-methoxy-benzylthio-4,6-dihydroxypyrimidine；2-[(4-methoxybenzyl)thio]-4,6(1H,5H)-pyrimidinedione；4-hydroxy-2-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
• CAS: 86627-06-7
• 化学式: C₁₂H₁₂N₂O₃S
• 分子量: 264.305
• InChiKey: PHPWSDCJFLYKOE-UHFFFAOYSA-N

物化性质

• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  96.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-<(4-methoxybenzyl)thio>-4,6(1H,5H)-pyrimidinedione 在 三正丙胺 、 三氯氧磷 作用下， 反应 4.0h， 生成 4,6-dichloro-2-(4-methoxyphenylmethylthio)-pyrimidine
  参考文献：
  名称：

  Pyrazole compounds useful as protein kinase inhibitors

  摘要：

  这项发明描述了公式IIIa的新型吡唑化合物：其中R1是T-Ring D，其中环D是选择自芳基、杂芳基、杂环基或碳环基的5-7成员单环或8-10成员双环环；Rx、Ry、R2和R2'如规范中描述。这些化合物可用作蛋白激酶抑制剂，特别是作为Aurora-2和GSK-3的抑制剂，用于治疗癌症、糖尿病和阿尔茨海默病等疾病。

  公开号：

  US20050038023A1
• 作为产物：
  描述：

  2-Thiobarbituric acid 、 4-甲氧基氯苄 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 7.5h， 生成 2-<(4-methoxybenzyl)thio>-4,6(1H,5H)-pyrimidinedione
  参考文献：
  名称：

  Pyrazole compounds useful as protein kinase inhibitors

  摘要：

  这项发明描述了公式IIIa的新型吡唑化合物：其中R1是T-Ring D，其中环D是选择自芳基、杂芳基、杂环基或碳环基的5-7成员单环或8-10成员双环环；Rx、Ry、R2和R2'如规范中描述。这些化合物可用作蛋白激酶抑制剂，特别是作为Aurora-2和GSK-3的抑制剂，用于治疗癌症、糖尿病和阿尔茨海默病等疾病。

  公开号：

  US20050038023A1

文献信息

• Pyrimidine-thioalkyl and alkylether compounds
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP1247804A1

  公开（公告）日：2002-10-09

  The subject invention relates to pyrimidine-thioalkyl and alkylether compounds of Formula I and pyrimidine-thioalkyl and alkylethers of Formula IA, namely the compounds of Formula I where R4 is selected from the group consisting of -H or -NR15R16 where R15 is -H and R16 is -H, C1-C6 alkyl, -NH2 or R15 and R16 taken together with the -N form 1-pyrrolidino, 1-morpholino or 1-piperidino; and R6 is selected from the group consisting of -H, or halo (preferably -Cl); with the overall provisio that R4 and R6 are not both -H; The compounds of Formula IA are useful in the treatment of individuals who are HIV positive.

  该发明涉及Formula I的嘧啶硫代烷基和烷基醚化合物，以及Formula IA的嘧啶硫代烷基和烷基醚化合物，即Formula I中R4选自-H或-NR15R16的基团，其中R15为-H，R16为-H，C1-C6烷基，-NH2或R15和R16一起与-N形成1-吡咯啉基、1-吗啉基或1-哌啶基；以及R6选自-H或卤素（优选-Cl）的基团，总体规定是R4和R6不能同时为-H；Formula IA的化合物在治疗HIV阳性个体中是有用的。
• Pyrazole compounds useful as protein kinase inhibitors
  申请人：Bebbington David

  公开号：US20050038023A1

  公开（公告）日：2005-02-17

  This invention describes novel pyrazole compounds of formula IIIa: wherein R 1 is T-Ring D, wherein Ring D is a 5-7 membered monocyclic ring or 8-10 membered bicyclic ring selected from aryl, heteroaryl, heterocyclyl or carbocyclyl; R x , R y , R 2 ; and R 2′ are as described in the specification. The compounds are useful as protein kinase inhibitors, especially as inhibitors of Aurora-2 and GSK-3, for treating diseases such as cancer, diabetes and Alzheimer's disease.

  这项发明描述了公式IIIa的新型吡唑化合物：其中R1是T-Ring D，其中环D是选择自芳基、杂芳基、杂环基或碳环基的5-7成员单环或8-10成员双环环；Rx、Ry、R2和R2'如规范中描述。这些化合物可用作蛋白激酶抑制剂，特别是作为Aurora-2和GSK-3的抑制剂，用于治疗癌症、糖尿病和阿尔茨海默病等疾病。
• Pyrazole compounds useful as protein kinase inhititors
  申请人：——

  公开号：US20030004161A1

  公开（公告）日：2003-01-02

  This invention describes novel pyrazole compounds of formula I′: 1 wherein Q′ is —O—, —C(R 6′ ) 2 —, 1,2-cyclopropanediyl, 1,2-cyclobutanediyl, or 1,3-cyclopropanediyl, and R 1 is T-Ring D, wherein Ring D is a 5-7 membered monocyclic ring or 8-10 membered bicyclic ring selected from aryl, heteroaryl, heterocyclyl or carbocyclyl; R x and R y are independently selected from T-R 3 or L-Z-R 3 or R x and R y are taken together with their intervening atoms to form a fused, unsaturated or partially unsaturated, 5-7 membered ring having 0-3 heteroatoms; and R 2 and R 2′ are as described in the specification. The compounds are useful as protein kinase inhibitors, especially as inhibitors of Aurora-2 and GSK-3, for treating diseases such as cancer, diabetes and Alzheimer's disease.

  这项发明描述了一种新颖的吡唑类化合物，化学式为I′:1其中Q′为—O—、—C(R6′)2—、1,2-环丙烷二基、1,2-环丁烷二基或1,3-环丙烷二基，R1为T-Ring D，其中Ring D为从芳香族、杂芳基、杂环基或碳环基中选择的5-7成员单环或8-10成员双环；Rx和Ry分别独立选择自T-R3或L-Z-R3或Rx和Ry与它们之间的原子结合形成融合、不饱和或部分不饱和、含有0-3个杂原子的5-7成员环；R2和R2′如规范中描述。这些化合物可用作蛋白激酶抑制剂，特别是作为Aurora-2和GSK-3的抑制剂，用于治疗癌症、糖尿病和阿尔茨海默病等疾病。
• Pyrimidine and s-triazine derivatives with antilipidemic activity
  申请人：LBP Istituto Faraceutico S.p.A.

  公开号：US04559345A1

  公开（公告）日：1985-12-17

  Pyrimidine and s-triazine derivatives of formula (I) ##STR1## in which X=CH or N; Y=for example halogen, alkoxy; W=for example --S--CH.sub.2 --COOH, --O--CH.sub.2 --COO alkyl, --NH--CH.sub.2 --CONHCH.sub.2 CH.sub.2 OH; Z=for example 2,3-xylidino, and methods for the preparation thereof are described. The compounds show high antilipemic activity.

  公式(I)的嘧啶和s-三嗪衍生物如下：##STR1## 其中X=CH或N；Y=例如卤素、烷氧基；W=例如--S--CH.sub.2 --COOH、--O--CH.sub.2 --COO烷基、--NH--CH.sub.2 --CONHCH.sub.2 CH.sub.2 OH；Z=例如2,3-二甲苯胺基，以及其制备方法。这些化合物表现出高抗脂质活性。
• PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS
  申请人：Bebbington David

  公开号：US20090312543A1

  公开（公告）日：2009-12-17

  This invention describes novel pyrazole compounds of formula IIIa: wherein R 1 is T-Ring D, wherein Ring D is a 5-7 membered monocyclic ring or 8-10 membered bicyclic ring selected from aryl, heteroaryl, heterocyclyl or carbocyclyl; R x , R y , R 2 , and R 2′ are as described in the specification. The compounds are useful as protein kinase inhibitors, especially as inhibitors of Aurora-2 and GSK-3, for treating diseases such as cancer, diabetes and Alzheimer's disease.

  本发明描述了式IIIa的新型吡唑化合物： 其中R1是T-Ring D，其中环D是5-7成员单环或8-10成员双环，选自芳基，杂芳基，杂环基或碳环基；Rx，Ry，R2和R2'如说明书所述。该化合物可用作蛋白激酶抑制剂，特别是用于抑制Aurora-2和GSK-3，治疗癌症，糖尿病和阿尔茨海默病等疾病。