phenyl N-[4-(3-fluoro-4-{[1-(4-fluorophenylcarbamoyl)cyclopropanecarbonyl]amino}phenoxy)pyridin-2-yl]-N-phenoxycarbonylcarbamate | 928038-09-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: phenyl N-[4-(3-fluoro-4-{[1-(4-fluorophenylcarbamoyl)cyclopropanecarbonyl]amino}phenoxy)pyridin-2-yl]-N-phenoxycarbonylcarbamate
• 英文别名: Phenyl [4-(3-fluoro-4-{[1-(4-fluorophenylcarbamoyl)cyclopropanecarbonyl]amino} phenoxy)pyridin-2-yl]-N-phenoxycarbonylcarbamate；phenyl [4-(3-fluoro-4-{[1-(4-fluorophenylcarbamoyl)cyclopropanecarbonyl]amino}phenoxy)pyridin-2-yl]-N-phenoxycarbonylcarbamate；[4-(3-fluoro-4-{[1-(4-fluorophenylcarbamoyl)cyclopropanecarbonyl]amino}phenoxy)pyridin-2-yl]-N-(phenoxycarbonyl)carbamic acid phenyl ester；phenyl N-[4-[3-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]pyridin-2-yl]-N-phenoxycarbonylcarbamate
• CAS: 928038-09-9
• 化学式: C₃₆H₂₆F₂N₄O₇
• 分子量: 664.622
• InChiKey: VGFCKBGMAILBSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  49
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  136
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  phenyl N-[4-(3-fluoro-4-{[1-(4-fluorophenylcarbamoyl)cyclopropanecarbonyl]amino}phenoxy)pyridin-2-yl]-N-phenoxycarbonylcarbamate 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 25.25h， 生成 N-[4-({2-[(1,3'-Biazetidin-1'-ylcarbonyl)amino]pyridin-4-yl}oxy)-2-fluorophenyl]-N'-(4-fluorophenyl)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：

  tert-butyl [4-(4-benzyloxycarbonylamino-3-fluorophenoxy)pyridin-2-yl]carbamate 在 palladium(II) hydroxide/carbon 盐酸 、 氢气 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 四氢呋喃 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 22.17h， 生成 phenyl N-[4-(3-fluoro-4-{[1-(4-fluorophenylcarbamoyl)cyclopropanecarbonyl]amino}phenoxy)pyridin-2-yl]-N-phenoxycarbonylcarbamate
  参考文献：
  名称：

  NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3)

  摘要：

  公开号：

  EP1889836B1

文献信息

• PHENOXYPYRIDINE DERIVATIVE SALTS AND CRYSTALS THEREOF, AND PROCESS FOR PREPARING THE SAME
  申请人：MATSUSHIMA Tomohiro

  公开号：US20080318924A1

  公开（公告）日：2008-12-25

  The invention provides acid addition salts of the compounds represented by formula (1) or (2), or crystals thereof, and processes for preparing the same. The salts or crystals have HGFR inhibitory activity and excellent physical properties (solubility, safety, etc.) and are therefore useful as anti-tumor agents, angiogenesis inhibitors and inhibitors for metastasis for a various types of tumor.

  本发明提供了由公式（1）或（2）所代表的化合物的酸加成盐或其晶体，并提供了制备它们的方法。这些盐或晶体具有HGFR抑制活性和优异的物理性质（溶解度、安全性等），因此可用作多种类型肿瘤的抗肿瘤剂、抑制血管生成的抑制剂以及抑制转移的抑制剂。
• 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 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。]
• PYRIDINE OR PYRIMIDINE DERIVATIVE HAVING EXCELLENT CELL GROWTH INHIBITION EFFECT AND EXCELLENT ANTI-TUMOR EFFECT ON CELL STRAIN HAVING AMPLIFICATION OF HGFR GENE
  申请人：Obaishi Hiroshi

  公开号：US20120232049A1

  公开（公告）日：2012-09-13

  A pyridine or pyrimidine derivative represented by the formula (I) has an excellent HGFR inhibitory activity and exhibits strong cell proliferation inhibitory effect and anti-tumor effect against cancer cell lines with amplified HGFR gene. wherein 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.

  公式（I）所表示的吡啶或嘧啶衍生物具有出色的HGFR抑制活性，并对具有HGFR基因扩增的癌细胞系表现出强烈的细胞增殖抑制作用和抗肿瘤作用，其中R1代表3-10成员的非芳香族杂环基团或类似物；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3-10成员的非芳香族杂环基团或类似物；n代表1或2的整数；X代表-CH═或氮。