2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-ol | 1059172-57-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-ol
• 英文别名: 2-(2-Chlorophenyl)-5,6-dimethylpyrimidin-4-ol；2-(2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one
• CAS: 1059172-57-4
• 化学式: C₁₂H₁₁ClN₂O
• 分子量: 234.685
• InChiKey: JIFOVNGQSOOZRR-UHFFFAOYSA-N

物化性质

• 沸点：
  355.1±44.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.71
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  45.75
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  2-chloro-N-(2-methyl-3-oxobutanoyl)benzamide 在 ammonium acetate 作用下， 以 溶剂黄146 为溶剂， 反应 0.25h， 生成 2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-ol
  参考文献：
  名称：

  A facile synthesis of pyrimidin-4-ones

  摘要：

  A facile synthesis of 2,6-disubstituted pyrimidin-4-ones and 2,5,6-trisubstituted pyrimidin-4-ones from commercially available materials with application of microwave technology in key steps is described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.11.096

文献信息

• AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES
  申请人：Pierce Albert

  公开号：US20110020377A1

  公开（公告）日：2011-01-27

  The present invention relates to compounds useful as inhibitors of protein kinases. The invention also provides pharmaceutically acceptable compositions comprising those compounds and methods of using the compounds and compositions in the treatment of various disease, conditions, and disorders. The invention also provides processes for preparing compounds of the invention.

  本发明涉及用作蛋白激酶抑制剂的化合物。该发明还提供包含这些化合物的药用合适组合物，以及在治疗各种疾病、症状和障碍中使用这些化合物和组合物的方法。该发明还提供制备本发明化合物的方法。
• Pyrazole compounds useful as protein kinase inhibitors
  申请人：Bebbington David

  公开号：US20070270444A1

  公开（公告）日：2007-11-22

  This invention describes novel pyrazole compounds of formula IV: 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 taken together with their intervening atoms to form a fused, unsaturated or partially unsaturated, 5-8 membered ring having 1-3 ring heteroatoms selected from oxygen, sulfur, or nitrogen; and R 2 , R 2′ , T, and R 3 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.

  该发明描述了式IV的新型吡唑化合物： 其中环D为从芳基，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独立地选择自T-R3，或者与它们之间的原子结合形成融合的、不饱和的或部分不饱和的、具有1-3个环杂原子的5-8成员环；而R2，R2'，T和R3如说明书所述。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。
• TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS
  申请人：Bebbington David

  公开号：US20120071657A1

  公开（公告）日：2012-03-22

  This invention describes novel triazole compounds of formula IX: wherein Z 1 is nitrogen or CR 9 and Z 2 is nitrogen or CH, provided that at least one of Z 1 and Z 2 is nitrogen; G is Ring C or Ring D; Ring C is selected from a phenyl, pyridinyl, pyrimidinyl, pyridazinyl, pyrazinyl, or 1,2,4-triazinyl ring, wherein said Ring C has one or two ortho substituents independently selected from —R 1 ; 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 R x and R y are taken together with their intervening atoms to form a fused ring; R 1 , R 3 , and T are as described in the specification. The compounds are useful as protein kinase inhibitors, especially as inhibitors of GSK-3 and Aurora, for treating diseases such as diabetes, cancer, and Alzheimer's disease.

  该发明描述了式IX的新型三唑类化合物：其中Z1是氮或CR9，Z2是氮或CH，但至少其中一个为氮；G是环C或环D；环C选自苯基、吡啶基、嘧啶基、吡嗪基、吡咯基或1,2,4-三嗪基环，其中所述的环C具有一个或两个独立选择自-R1的邻位取代基；环D是选自芳基、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和Ry独立选择自T-R3，或Rx和Ry与它们之间的原子结合形成螺合环；R1、R3和T如说明书所述。该化合物可用作蛋白激酶抑制剂，特别是GSK-3和Aurora的抑制剂，用于治疗糖尿病、癌症和阿尔茨海默病等疾病。
• PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES
  申请人：Henkel Gregory William

  公开号：US20110224197A1

  公开（公告）日：2011-09-15

  The present invention relates to compounds useful as inhibitors of protein kinases, such as inhibitors of GSK-3. The invention provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders. The invention provides processes for preparing compounds of the invention. The invention provides methods of identifying compounds useful for treatment of diabetes, diabetic neuropathy, osteoporosis, Alzheimer's disease, Huntington's disease, Parkinson's disease, AIDS-associated dementia, bipolar disorder, amyotrophic lateral sclerosis, multiple sclerosis, schizophrenia, leukocytopenia, cardiomyocyte hypertrophy, stroke, post-stroke, spinal cord injury, traumatic brain injury, Charcot-Marie-Tooth, peripheral nerve regeneration, and rheumatoid arthritis.

  本发明涉及一种作为蛋白激酶抑制剂的化合物，例如GSK-3的抑制剂。本发明提供了包含本发明化合物的药学上可接受的组合物，并提供了使用这些组合物治疗各种疾病的方法。本发明提供了制备本发明化合物的方法。本发明提供了鉴定用于治疗糖尿病、糖尿病神经病变、骨质疏松症、阿尔茨海默病、亨廷顿病、帕金森病、艾滋病相关痴呆、双相情感障碍、肌萎缩性侧索硬化、多发性硬化症、精神分裂症、白细胞减少症、心肌细胞肥大、中风、中风后、脊髓损伤、创伤性脑损伤、沙科-玛丽-图特病、周围神经再生和类风湿性关节炎的化合物的方法。
• PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS
  申请人：Bebbington David

  公开号：US20100256170A1

  公开（公告）日：2010-10-07

  This invention describes novel pyrazole compounds of formula IV: 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 taken together with their intervening atoms to form a fused, unsaturated or partially unsaturated, 5-8 membered ring having 1-3 ring heteroatoms selected from oxygen, sulfur, or nitrogen; and R 2 , R 2′ , T, and R 3 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IV的新型吡唑化合物：其中环D为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和Ry分别选自T-R3，或与其之间的原子结合形成融合的、不饱和或部分不饱和的5-8成员环，其中有1-3个选自氧、硫或氮的环杂原子；R2、R2'、T和R3如说明书所述。这些化合物可用作蛋白激酶抑制剂，特别是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。