pyrrolidine-1-carboxylic acid [4-(4-aminophenoxy)pyridin-2-yl]amide | 864245-76-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: pyrrolidine-1-carboxylic acid [4-(4-aminophenoxy)pyridin-2-yl]amide
• 英文别名: 4-(4-Aminophenoxy)-2-[(pyrrolidin-1-yl)carbonylamino]pyridine；N-[4-(4-aminophenoxy)pyridin-2-yl]pyrrolidine-1-carboxamide
• CAS: 864245-76-1
• 化学式: C₁₆H₁₈N₄O₂
• 分子量: 298.345
• InChiKey: GDDRPLMNXSNASK-UHFFFAOYSA-N

物化性质

• 沸点：
  565.2±50.0 °C(Predicted)
• 密度：
  1.329±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  80.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  pyrrolidine-1-carboxylic acid [4-(4-aminophenoxy)pyridin-2-yl]amide 、 1-(4-氟苯基氨基甲酰基)环丙烷羧酸 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以62%的产率得到N-(4-fluorophenyl)-N'-[4-({2-[(pyrrolidin-1-ylcarbonyl)amino]pyridin-4-yl}oxy)phenyl]cyclopropane-1,1-dicarboxamide
  参考文献：
  名称：

  NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3)

  摘要：

  公开号：

  EP1889836B1
• 作为产物：
  描述：

  4-(4-nitrophenoxy)pyridin-2-amine 在 palladium(II) hydroxide/carbon 氢气 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 9.5h， 生成 pyrrolidine-1-carboxylic acid [4-(4-aminophenoxy)pyridin-2-yl]amide
  参考文献：
  名称：

  NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3)

  摘要：

  公开号：

  EP1889836B1

文献信息

• 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。]
• Novel pyridine derivatives and pyrimidine derivatives (3)
  申请人：Matsushima Tomohiro

  公开号：US20080319188A1

  公开（公告）日：2008-12-25

  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 a 3- to 10-membered non-aromatic heterocyclic group 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 a 3- to 10-membered non-aromatic heterocyclic group or the like; n represents an integer of 1 or 2; X represents —CH═, nitrogen or the like.]

  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，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3-至10-成员的非芳香族杂环基团等；R2和R3代表氢；R4、R5、R6和R7可以相同或不同，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3-至10-成员的非芳香族杂环基团等；n代表1或2的整数；X代表-CH═，氮或类似物。]
• 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 DERIVATIVES AND PYRIMIDINE DERIVATIVES (3)
  申请人：MATSUSHIMA Tomohiro

  公开号：US20100075944A1

  公开（公告）日：2010-03-25

  A compound represented by the following formula, or a salt thereof or a hydrate of the foregoing, has excellent hepatocyte growth factor receptor (HGFR) inhibitory activity, and exhibits anti-tumor activity, angiogenesis inhibitory activity, and cancer metastasis inhibitory activity. R 1 represents a 3- to 10-membered non-aromatic heterocyclic group 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 a 3- to 10-membered non-aromatic heterocyclic group or the like; n represents an integer of 1 or 2; X represents —CH═, nitrogen or the like.

  以下化合物的分子式，或其盐或水合物，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3-10个成员的非芳香杂环基团等；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3-10个成员的非芳香杂环基团等；n代表1或2的整数；X代表-CH═、氮或类似物。
• Pyridine derivatives and pyrimidine derivatives (3)
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US07855290B2

  公开（公告）日：2010-12-21

  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 a 3- to 10-membered non-aromatic heterocyclic group 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; R9 represents a 3- to 10-membered non-aromatic heterocyclic group or the like; n represents an integer of 1 or 2; X represents —CH═, nitrogen or the like.]

  以下化合物的公式，其盐或其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。[R1代表3-至10-成员非芳香杂环基团或类似物；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3-至10-成员非芳香杂环基团或类似物；n表示1或2；X表示-CH═、氮或类似物。]