5-Bromo-2-(4-carboxyanilino)-4-(4-fluoroanilino)pyrimidine

• 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: 5-Bromo-2-(4-carboxyanilino)-4-(4-fluoroanilino)pyrimidine
• 英文别名: 4-[[5-bromo-4-(4-fluoroanilino)pyrimidin-2-yl]amino]benzoic acid
• 化学式: C₁₇H₁₂BrFN₄O₂
• 分子量: 403.2
• InChiKey: VWPPUPBOBUEJIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87.1
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 5-Bromo-2-(4-carboxyanilino)-4-(4-fluoroanilino)pyrimidine 、 1-(3-氨基丙基)-2-吡咯烷酮 、 1-羟基苯并三唑 、 氯化钠 以 N,N-二甲基甲酰胺 、 水 为溶剂， 反应 16.0h， 以to give the product as an off-white solid (98 mg, 75%)的产率得到5-Bromo-4-(4-fluoroanilino)-2-(4-{N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}anilino)pyrimidine
  参考文献：
  名称：

  2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents

  摘要：

  公式（I）中的嘧啶衍生物，其中：Q1和Q2分别选自芳基或碳链杂芳基，可以如定义中所述地取代；并且Q1和/或Q2中的一个取代环碳上的公式（Ia）或（Ia′）的一个取代基，其中：Y、Z、n、m、Q3、G、R1如定义中所述；并描述了其药学上可接受的盐和体内可水解酯。还描述了它们的制造过程、制药组合物以及作为细胞周期依赖性丝氨酸/苏氨酸激酶（CDK）和聚焦粘附激酶（FAK）抑制剂的用途。

  公开号：

  US20030149266A1

文献信息

• 2,4-di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents
  申请人：AstraZeneca AB

  公开号：US06649608B2

  公开（公告）日：2003-11-18

  Pyrimidine derivatives of the formula (I), wherein: Q1 and Q2 are independently selected from aryl or carbon linked heteroaryl optionally substituted as defined within; and one or both Q1 and Q2 are substituted on a ring carbon by one substituent of the formula (Ia) or (Ia′), wherein: Y, Z, n, m Q3, G, R1, are as defined within; and pharmaceutically acceptable salts and in in vivo hydrolysable esters thereof are described. Processes for their manufacture, pharmaceutical compositions and their use as cyclin-dependent serine/threonine kinase (CDK) and focal adhesion kinase (FAK) inhibitors are also described.

  式(I)的嘧啶衍生物，其中：Q1和Q2独立地选自芳基或碳链杂芳基，如定义内可选择地取代；并且Q1和/或Q2中的一个在环碳上被式(Ia)或(Ia')的一个取代基取代，其中：Y、Z、n、m、Q3、G、R1如定义内；并描述了其药学上可接受的盐和体内可水解的酯。还描述了它们的制造过程、制药组合物以及作为细胞周期蛋白依赖性丝氨酸/苏氨酸激酶(CDK)和焦点粘附激酶(FAK)抑制剂的用途。
• 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS
  申请人：AstraZeneca AB

  公开号：EP1268444B1

  公开（公告）日：2007-01-17
• US6649608B2
  申请人：——

  公开号：US6649608B2

  公开（公告）日：2003-11-18
• [EN] 2, 4-DI(HETERO-)ARYLAMINO (-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS<br/>[FR] 2, 4-DI(HETERO-)ARYLAMINO (-OXY) PYRIMIDINES SUBSTITUES EN 5, UTILISES COMME AGENTS ANTINEOPLASIQUES
  申请人：ASTRAZENECA AB

  公开号：WO2001064655A1

  公开（公告）日：2001-09-07

  Pyrimidine derivatives of the formula (I), wherein: Q1 and Q2 are independently selected from aryl or carbon linked heteroaryl optionally substituted as defined within; and one or both Q1 and Q2 are substituted on a ring carbon by one substituent of the formula (Ia) or (Ia'), wherein : Y, Z, n, m, Q3, G, R1, are as defined within; and pharmaceutically acceptable salts and in in vivo hydrolysable esters thereof are described. Processes for their manufacture, pharmaceutical compositions and their use as cyclin-dependent serine/threonine kinase (CDK) and focal adhesion kinase (FAK) inhibitors are also described.
• [EN] METHOD OF USING PYRIMIDINE DERIVATIVES IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS<br/>[FR] METHODE D'UTILISATION DE DERIVES DE PYRIMIDINE DANS LE TRAITEMENT DE TROUBLES HYPERPROLIFERATIFS
  申请人：BAYER PHARMACEUTICALS CORP

  公开号：WO2004039359A2

  公开（公告）日：2004-05-13

  A method of treating hyper-proliferative disorders comprising the administration to a patient in need thereof of an effective amount of a compound of Formula (I) wherein R is halo or CF3; n is 0 or 1; R1 is selected independently in each instance from the group consisting of halo, (C1-C3)alkoxy, and (C1-C3)alkylthiol; m is 1 or 2; or pharmaceutically acceptable salt thereof.