Benzyl N-(2-fluoro-4-{6-[3-methyl-3-(1-methylpiperidin-4-yl)ureido]pyrimidin-4-yloxy}phenyl)carbamate | 864246-11-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Benzyl N-(2-fluoro-4-{6-[3-methyl-3-(1-methylpiperidin-4-yl)ureido]pyrimidin-4-yloxy}phenyl)carbamate
• 英文别名: benzyl N-[2-fluoro-4-[6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyrimidin-4-yl]oxyphenyl]carbamate
• CAS: 864246-11-7
• 化学式: C₂₆H₂₉FN₆O₄
• 分子量: 508.552
• InChiKey: CFLNRAKNFLOIQR-UHFFFAOYSA-N

物化性质

• 沸点：
  650.7±55.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Benzyl N-(2-fluoro-4-{6-[3-methyl-3-(1-methylpiperidin-4-yl)ureido]pyrimidin-4-yloxy}phenyl)carbamate 在 palladium hydroxide carbon 氢气 、 乙酸乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 10.0h， 以to provide crude 3-[6-(4-amino-3-fluorophenoxy)pyrimidin-4-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea as a colorless oil [ESI-MS (m/z): 375[M+H]+]的产率得到3-[6-(4-amino-3-fluorophenoxy)pyrimidin-4-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
  参考文献：
  名称：

  Novel pyridine derivative and pyrimidine derivative

  摘要：

  以下化合物、其盐或水合物，具有优异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可以相同也可以不同，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。]

  公开号：

  US20050277652A1
• 作为产物：
  描述：

  1-甲基-4-(甲氨基)哌啶 、 phenyl N-[6-(4-benzyloxycarbonylamino-3-fluorophenoxy)pyrimidin-4yl]-N-(phenoxycarbonyl)carbamate 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 2.0h， 生成 Benzyl N-(2-fluoro-4-{6-[3-methyl-3-(1-methylpiperidin-4-yl)ureido]pyrimidin-4-yloxy}phenyl)carbamate
  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。]