2-[(5-chloropyridin-3-yl)oxy]-4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethaneyl)pyrimidine | 701231-94-9

• 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-[(5-chloropyridin-3-yl)oxy]-4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethaneyl)pyrimidine
• 英文别名: 2-[(5-chloropyridin-3-yl)oxy]-4-[4-(methanesulfonyl)phenyl]-6-(trifluoromethyl)pyrimidine；2-[(5-chloropyridin-3-yl)oxy]-4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)pyrimidine；2-(5-Chloropyridin-3-yloxy)-4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)pyrimidin；2-(5-Chloropyridin-3-yl)oxy-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
• CAS: 701231-94-9
• 化学式: C₁₇H₁₁ClF₃N₃O₃S
• 分子量: 429.807
• InChiKey: DPLDTAGMESCDTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  90.4
• 氢给体数：
  0
• 氢受体数：
  9

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。
• 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。
• Use of cyclooxygenase-2 selective inhibitors for the treatment of schizophrenic disorders
  申请人：Hagan James

  公开号：US20070142411A1

  公开（公告）日：2007-06-21

  The invention concerns the use of compounds of formula (I), (II) and (III) which are COX-2 (cyclooxygenase-2) inhibitors, and pharmaceutically acceptable salts and solates thereof, for the treatment of schizophrenic disorders. Schizophrenic disorders of the invention are to be intended schizophrenia, delusional disorders, affective disorders, autism or tic disorders, schizophreniform disorders, in particular chronic schizophrenic psychoses and schizoaffective psychoses, temporary acute psychotic disorders. Moreover, the invention is concerned with the use of a pyrimidine derivative known as COX-2 inhibitor in combination with a neuroleptic drug for the treatment of schizophrenic disorders such as those defined above.

  本发明涉及使用式（I）、（II）和（III）化合物及其药学上可接受的盐和溶剂，作为COX-2（环氧合酶-2）抑制剂，用于治疗精神分裂症。本发明的精神分裂症指精神分裂症、妄想性障碍、情感障碍、自闭症或抽动障碍、类精神分裂症、特别是慢性精神分裂症和分裂情感性精神病、暂时急性精神病性障碍。此外，本发明涉及使用一种称为COX-2抑制剂的嘧啶衍生物与神经精神药物结合治疗上述定义的精神分裂症。
• Use of Cyclooxygenase-2 Inhibitors for the Treatment of Depressive Disorders
  申请人：Hagan James

  公开号：US20070270428A1

  公开（公告）日：2007-11-22

  The invention concerns the use of compounds of formula (I), (II) and (III): which are COX-2 (cyclooxygenase-2) inhibitors, and pharmaceutically acceptable salts or solvates thereof, for the treatment of depressive disorders in combination with an effective amount of a second component which is a selective serotonin reuptake inhibitor.

  本发明涉及使用式（I），（II）和（III）的化合物：这些化合物是COX-2（环氧合酶-2）抑制剂，以及其药学上可接受的盐或溶剂，与第二成分的有效量结合使用，该第二成分是选择性血清素再摄取抑制剂，用于治疗抑郁症。