2-(4-fluorophenoxy)-4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)pyrimidine | 477741-51-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-(4-fluorophenoxy)-4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)pyrimidine
• 英文别名: 2-(4-Fluorophenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
• CAS: 477741-51-8
• 化学式: C₁₈H₁₂F₄N₂O₃S
• 分子量: 412.364
• InChiKey: IUSCLHOFUQRTMQ-UHFFFAOYSA-N

物化性质

• 沸点：
  569.2±60.0 °C(Predicted)
• 密度：
  1.415±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  77.5
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-甲硫基苯乙酮 在 sodium methylate 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 甲基叔丁基醚 为溶剂， 反应 14.0h， 生成 2-(4-fluorophenoxy)-4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)pyrimidine
  参考文献：
  名称：

  [EN] USE OF CYCLOOXYGENASE-2 INHIBITORS FOR THE TREATMENT OF DEPRESSIVE DISORDERS
  [FR] UTILISATION DES INHIBITEURS DE LA CYCLOOXYGENASE-2 DANS LE TRAITEMENT DES TROUBLES DEPRESSIFS

  摘要：

  公开号：

  WO2005048999A3

文献信息

• [EN] COMPOSITIONS CONTAINING PYRIMIDINE DERIVATIVES AS INHIBITORS OF COX-2<br/>[FR] COMPOSITIONS CONTENANT DES DERIVES DE PYRIMIDINE CONSTITUANT DES INHIBITEURS DE LA COX-2
  申请人：GLAXO GROUP LTD

  公开号：WO2004048344A1

  公开（公告）日：2004-06-10

  The invention provides a pharmaceutical composition comprising a compound of formula (I), a potent and selective inhibitor of COX-2, in which the compound is present in solid particles in nanoparticulate form in admixture with one or more pharmaceutically acceptable carriers or excipients.

  该发明提供了一种制药组合物，包括式（I）的化合物，这是一种COX-2的有效和选择性抑制剂，其中该化合物以纳米粒子形式的固体颗粒存在，与一个或多个药用载体或赋形剂混合。
• [EN] CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE CYCLO-OXYGÉNASE 2 ET LEURS UTILISATIONS
  申请人：BROAD INST INC

  公开号：WO2021050700A1

  公开（公告）日：2021-03-18

  The present disclosure describes compounds of the formula: (I), (II), (III), (IV), (V). The compounds described herein may be cyclooxygenase (COX) (e.g., cyclooxygenase 2 (COX2)) inhibitors. The compounds may be radiolabeled. The compounds (e.g., radiolabeled compounds) may be useful (e.g., as positron emission tomography (PET) imaging agents) for diagnosing a disease. The compounds may also be useful for treating or preventing a disease. The present disclosure also describes pharmaceutical compositions and kits including the compounds; and methods of using the compounds.

  本公开描述了以下式的化合物：(I)，(II)，(III)，(IV)，(V)。本文描述的化合物可能是环氧合酶（COX）（例如，环氧合酶2（COX2））抑制剂。这些化合物可能被放射标记。这些化合物（例如，放射标记化合物）可能用于诊断疾病（例如，作为正电子发射断层扫描（PET）成像剂）。这些化合物也可能用于治疗或预防疾病。本公开还描述了包括这些化合物的药物组合物和试剂盒；以及使用这些化合物的方法。
• Pyrimidine derivatives useful as selective COX-2 inhibitors
  申请人：Naylor Alan

  公开号：US20050187235A1

  公开（公告）日：2005-08-25

  Methods of treating a subject suffering from a condition which is mediated by COX-2.

  治疗COX-2介导的疾病的方法。
• Pyrimidine derivatives useful as selective cox-2 inhibitors
  申请人：Naylor Alan

  公开号：US20050032821A1

  公开（公告）日：2005-02-10

  The invention provides the compounds of formula (I) in which: R 1 is selected from the group consisting of H, C 1-6 alkyl, C 1-2 alkyl substituted by one to five fluorine atoms, C 3-6 alkenyl, C 3-10 cycloalkylC 0-6 alkyl, C 4-12 bridged cycloalkyl, A(CR 4 R 5 ) n and b(CR 4 R 5 ) n ; R 2 is C 1-2 alkyl substituted by one to five fluorine atoms; R 3 is selected from the group consisting of C 1-6 alkyl, NH 2 and R 7 CONH; R 4 and R 5 are independently selected from H or C 1-6 alkyl; A is an unsubstituted 5- or 6-membered heteroaryl or an unsubstituted 6-membered aryl, or a 5- or 6-membered heteroaryl or a 6-membered aryl substituted by one or more R 6 ; R 6 is selected from the group consisting of halogen, C 1-6 alkyl, C 1-6 alkyl substituted by one or more fluorine atoms, C 1-6 alkoxy, C 1-6 alkoxy substituted by one or more F, NH 2 SO 2 and C 1-6 alkylSO 2 ; B is selected from the group consisting of Formula (i) and (ii) and where (iv) defines the point of attachment of the ring; R 7 is selected from the group consisting of H, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkylOC 1-6 alkyl, phenyl, HO 2 CC 1-6 alkyl, C 1-6 alkylOCOC 1-6 alkyl, C 1-6 alkylOCO, H 2 C 1-6 alkyl, C 1-4 alkylOCONHC 1-6 alkyl and C 1-6 alkylCONHC 1-6 alkyl; and n is 0 to 4. Compounds of formula (I) are potent and selective inhibitors of COX-2 and are of use in treatment of the pain, fever and inflammation of variety of conditions and diseases.

  本发明提供了式(I)的化合物，其中：R1选自H，C1-6烷基，取代有1-5个氟原子的C1-2烷基，C3-6烯基，C3-10环烷基C0-6烷基，C4-12桥环烷基，A（CR4R5）n和b（CR4R5）n的群；R2为取代有1-5个氟原子的C1-2烷基；R3选自C1-6烷基，NH2和R7CONH的群；R4和R5独立地选自H或C1-6烷基；A是未取代的5-或6-成员杂环芳基或未取代的6-成员芳基，或取代有一个或多个R6的5-或6-成员杂环芳基或6-成员芳基；R6选自卤素，C1-6烷基，取代有一个或多个氟原子的C1-6烷基，C1-6烷氧基，取代有一个或多个F，NH2SO2和C1-6烷基SO2的群；B选自式（i）和（ii）的群，其中（iv）定义环的连接点；R7选自H，C1-6烷基，C1-6烷氧基，C1-6烷基OC1-6烷基，苯基，HO2CC1-6烷基，C1-6烷基OCOC1-6烷基，C1-6烷基OCO，H2C1-6烷基，C1-4烷氧基OCONHC1-6烷基和C1-6烷基CONHC1-6烷基的群；n为0到4。式(I)的化合物是COX-2的有效和选择性抑制剂，并可用于治疗各种疾病和病症的疼痛，发热和炎症。
• Compositions containing pyrimidine derivatives as inhibitors of cox-2
  申请人：Hill Rolfe Martin

  公开号：US20060194824A1

  公开（公告）日：2006-08-31

  The invention provides a pharmaceutical composition comprising a compound of formula (I) in which the compound is present in solid particles in nanoparticulate form in admixture with one or more pharmaceutically acceptable carriers or excipients.

  本发明提供了一种药物组合物，包括化合物式（I）的固体纳米颗粒形式，与一种或多种药用载体或辅料混合。