2-phenoxymethyl-3H-quinazolin-4-one | 100880-66-8

• 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: 2-phenoxymethyl-3H-quinazolin-4-one
• 英文别名: 2-Phenoxymethyl-3H-chinazolin-4-on；2-(phenoxymethyl)-4(3H)-quinazolinone；2-(phenoxymethyl)-3H-quinazolin-4-one
• CAS: 100880-66-8
• 化学式: C₁₅H₁₂N₂O₂
• 分子量: 252.272
• InChiKey: SEGUYJLINGHDJK-UHFFFAOYSA-N

物化性质

• 沸点：
  445.2±47.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)
• 溶解度：
  4.1 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-phenoxymethyl-3H-quinazolin-4-one 在 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成 N¹,N¹-Diethyl-N⁴-(2-phenoxymethyl-quinazolin-4-yl)-pentane-1,4-diamine
  参考文献：
  名称：

  Identification of chemokine receptor CCR4 antagonist

  摘要：

  The present study reports the identification and hits to leads optimization of chemokine receptor CCR4 antagonists. Compound 12 is a high affinity, non-cytotoxic antagonist of CCR4 that blocks the functional activity mediated by the receptor. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.084
• 作为产物：
  描述：

  2-(2-苯氧基乙酰氨基)苯甲酸甲酯 在 sodium hydroxide 、 氨 作用下， 生成 2-phenoxymethyl-3H-quinazolin-4-one
  参考文献：
  名称：

  849.喹唑酮系列的合成。第四部分 N-芳基甲酰胺基甲酸酯向2-芳基喹唑-4-酮的转化

  摘要：

  DOI：

  10.1039/jr9560004420

文献信息

• 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。
• 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。
• US6653300B2
  申请人：——

  公开号：US6653300B2

  公开（公告）日：2003-11-25
• US6653301B2
  申请人：——

  公开号：US6653301B2

  公开（公告）日：2003-11-25