2-[2-(Trifluoromethyl)benzamido]pyridine-3-carboxamide | 404826-18-2

• 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: 2-[2-(Trifluoromethyl)benzamido]pyridine-3-carboxamide
• 英文别名: 2-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxamide
• CAS: 404826-18-2
• 化学式: C₁₄H₁₀F₃N₃O₂
• 分子量: 309.24
• InChiKey: VQQCMPAJMQTBDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  85.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[2-(Trifluoromethyl)benzamido]pyridine-3-carboxamide 、 potassium ethoxide 、 sodium hydrogen sulfate 以 乙醇 、 水 为溶剂， 反应 16.0h， 以to give 2-(2-trifluoromethyl-phenyl)-3H-pyrido[2,3-d]pyrimidin-4-one的产率得到2-(2-trifluoromethyl-phenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
  参考文献：
  名称：

  Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors

  摘要：

  本发明描述了式IV的新型吡唑化合物：其中环D是选择自芳基、杂芳基、杂环芳基或碳环芳基的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相互结合形成融合的、不饱和的或部分不饱和的、具有1-3个环杂原子（选自氧、硫或氮）的5-8成员环；R2、R2'、T和R3如规范中所述。这些化合物可用作蛋白激酶抑制剂，特别是用作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：

  US08524720B2
• 作为产物：
  描述：

  2-(2-Trifluoromethyl-phenyl)-pyrido[2,3-d][1,3]oxazin-4-one 、 ammonium hydroxide 在 水 、 乙醚 作用下， 反应 32.0h， 以to give 2-(2-trifluoromethyl-benzoylamino)-nicotinamide (850 mg, 33% yield)的产率得到2-[2-(Trifluoromethyl)benzamido]pyridine-3-carboxamide
  参考文献：
  名称：

  Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors

  摘要：

  本发明描述了式IV的新型吡唑化合物：其中环D是选择自芳基、杂芳基、杂环芳基或碳环芳基的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相互结合形成融合的、不饱和的或部分不饱和的、具有1-3个环杂原子（选自氧、硫或氮）的5-8成员环；R2、R2'、T和R3如规范中所述。这些化合物可用作蛋白激酶抑制剂，特别是用作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：

  US08524720B2

文献信息

• Pyrazole compounds useful as protein kinase inhibitors
  申请人：——

  公开号：US20040224944A1

  公开（公告）日：2004-11-11

  This invention describes novel pyrazole compounds of formula IV: 1 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.

  本发明描述了公式IV：1的新型吡唑化合物，其中环D是从芳基，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5-8成员环，其中有1-3个环杂原子，所述的杂原子选择自氧，硫或氮。 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。
• 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。
• Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors
  申请人：Bebbington David

  公开号：US08524720B2

  公开（公告）日：2013-09-03

  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; Rx and Ry are independently selected from T-R3, 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 R2, R2′, T, and R3 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是选择自芳基、杂芳基、杂环芳基或碳环芳基的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相互结合形成融合的、不饱和的或部分不饱和的、具有1-3个环杂原子（选自氧、硫或氮）的5-8成员环；R2、R2'、T和R3如规范中所述。这些化合物可用作蛋白激酶抑制剂，特别是用作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。
• Fused pyrimidyl pyrazole compounds useful as protein kinase inhibitors
  申请人：Vertex Pharmaceuticals, Incorporated

  公开号：US07008948B2

  公开（公告）日：2006-03-07

  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; Rx and Ry are independently selected from T-R3, 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 R2, R2′, T, and R3 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.

  该发明描述了公式IV的新型吡唑化合物：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；Rx和Ry分别选择自T-R3，或与它们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，其中含有1-3个氧、硫或氮的环杂原子；而R2、R2'、T和R3如说明书中所述。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。