N-(3-Fluoro-4-{2-[3-methyl-3-(1-methylpiperidin-4-yl)ureido]pyridin-4-yloxy}phenyl)-N'-(4-fluorophenyl)malonamide | 864242-12-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(3-Fluoro-4-{2-[3-methyl-3-(1-methylpiperidin-4-yl)ureido]pyridin-4-yloxy}phenyl)-N'-(4-fluorophenyl)malonamide
• 英文别名: N'-[3-fluoro-4-[2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridin-4-yl]oxyphenyl]-N-(4-fluorophenyl)propanediamide
• CAS: 864242-12-6
• 化学式: C₂₈H₃₀F₂N₆O₄
• 分子量: 552.581
• InChiKey: KKAOCFQLRQWABJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  116
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-[4-(4-Amino-2-fluorophenoxy)pyridin-2-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea 、 3-(4-氟苯基氨基)-3-氧代丙酸 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 3.0h， 以33.8%的产率得到N-(3-Fluoro-4-{2-[3-methyl-3-(1-methylpiperidin-4-yl)ureido]pyridin-4-yloxy}phenyl)-N'-(4-fluorophenyl)malonamide
  参考文献：
  名称：

  Novel pyridine derivative and pyrimidine derivative

  摘要：

  以下化合物的分子式，其盐或前述水合物具有出色的肝细胞生长因子受体（HGFR）抑制活性，并表现出抗肿瘤活性、抑制血管生成活性和抑制癌转移活性。 [R 1 代表C 1-6 烷基或类似物；R 2 和R 3 代表氢；R 4 ，R 5 ，R 6 和R 7 可以相同也可以不同，每个代表氢、卤素、C 1-6 烷基或类似物；R 8 代表氢或类似物；R 9 代表C 1-6 烷基或类似物；V 1 代表氧或类似物；V 2 代表氧或硫；W代表—NH—或类似物；X代表—CH═、氮或类似物；Y代表氧或类似物。]

  公开号：

  US20050277652A1

文献信息

• Novel pyridine Derivative and Pyrimidine Derivative (1)
  申请人：Matsushima Tomohiro

  公开号：US20070270421A1

  公开（公告）日：2007-11-22

  A compound represented by the following formula, a salt thereof or a hydrate of the foregoing has an excellent hepatocyte growth factor receptor (HGFR) inhibitory activity, and exhibits anti-tumor activity, angiogenesis inhibitory activity and cancer metastasis inhibitory activity. [R 1 represents C 1-6 alkyl or the like; R 2 and R 3 represent hydrogen; R 4 , R 5 , R 6 , and R 7 may be the same or different and each represents hydrogen, halogen, C 1-6 alkyl or the like; R 8 represents hydrogen or the like; R 9 represents C 1-6 alkyl or the like; V 1 represents oxygen or the like; V 2 represents oxygen or sulfur; W represents —NH— or the like; X represents —CH═, nitrogen or the like; and Y represents oxygen or the like.]

  以下化合物的公式，其盐或水合物具有出色的肝细胞生长因子受体（HGFR）抑制活性，并表现出抗肿瘤活性，抑制血管生成活性和癌症转移抑制活性。 [其中，R1代表C1-6烷基或类似物; R2和R3代表氢; R4，R5，R6和R7可能相同或不同，每个代表氢，卤素，C1-6烷基或类似物; R8代表氢或类似物; R9代表C1-6烷基或类似物; V1代表氧或类似物; V2代表氧或硫; W代表—NH—或类似物; X代表—CH═、氮或类似物; Y代表氧或类似物。]
• NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2)
  申请人：Eisai Co., Ltd.

  公开号：EP1719763A1

  公开（公告）日：2006-11-08

  A compound represented by the following formula, a salt thereof or a hydrate of the foregoing has an excellent hepatocyte growth factor receptor (HGFR) inhibitory activity, and exhibits anti-tumor activity, angiogenesis inhibitory activity and cancer metastasis inhibitory activity. [R1 represents C1-6 alkyl or the like; R2 and R3 represent hydrogen; R4, R5, R6, and R7 may be the same or different and each represents hydrogen, halogen, C1-6 alkyl or the like; R8 represents hydrogen or the like; R9b represents a 3- to 10-memberd non-aromatic heterocyclic group or the like; V1 represents oxygen or the like; V2 represents oxygen or sulfur; W represents -CH2- or the like; X represents -CH=, nitrogen or the like; and Y represents oxygen or the like.]

  下式代表的化合物、其盐或前述化合物的水合物具有极佳的肝细胞生长因子受体（HGFR）抑制活性，并具有抗肿瘤活性、血管生成抑制活性和癌症转移抑制活性。 [R1 代表 C1-6 烷基或类似物；R2 和 R3 代表氢； R4、R5、R6 和 R7 可以相同或不同，各自代表氢、卤素、C1-6 烷基或类似物；R8 代表氢或类似物；R9b 代表 3 至 10 个成员的非芳香杂环基团或类似物；V1 代表氧或类似物；V2 代表氧或硫；W 代表 -CH2- 或类似物；X 代表 -CH=、氮或类似物；Y 代表氧或类似物。］
• NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1)
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1719762B1

  公开（公告）日：2012-06-27
• US7531532B2
  申请人：——

  公开号：US7531532B2

  公开（公告）日：2009-05-12
• Novel pyridine derivative and pyrimidine derivative
  申请人：Matsushima Tomohiro

  公开号：US20050277652A1

  公开（公告）日：2005-12-15

  A compound represented by the following formula, a salt thereof or a hydrate of the foregoing has an excellent hepatocyte growth factor receptor (HGFR) inhibitory activity, and exhibits anti-tumor activity, angiogenesis inhibitory activity and cancer metastasis inhibitory activity. [R 1 represents C 1-6 alkyl or the like; R 2 and R 3 represent hydrogen; R 4 , R 5 , R 6 , and R 7 may be the same or different and each represents hydrogen, halogen, C 1-6 alkyl or the like; R 8 represents hydrogen or the like; R 9 represents C 1-6 alkyl or the like; V 1 represents oxygen or the like; V 2 represents oxygen or sulfur; W represents —NH— or the like; X represents —CH═, nitrogen or the like; and Y represents oxygen or the like.]

  以下化合物的分子式，其盐或前述水合物具有出色的肝细胞生长因子受体（HGFR）抑制活性，并表现出抗肿瘤活性、抑制血管生成活性和抑制癌转移活性。 [R 1 代表C 1-6 烷基或类似物；R 2 和R 3 代表氢；R 4 ，R 5 ，R 6 和R 7 可以相同也可以不同，每个代表氢、卤素、C 1-6 烷基或类似物；R 8 代表氢或类似物；R 9 代表C 1-6 烷基或类似物；V 1 代表氧或类似物；V 2 代表氧或硫；W代表—NH—或类似物；X代表—CH═、氮或类似物；Y代表氧或类似物。]