6-(4-fIuorobenzyl)-3-isopropyl[1,2,4]triazolo[4,3-a]pyridine | 745826-95-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并吡啶类
• 英文名称: 6-(4-fIuorobenzyl)-3-isopropyl[1,2,4]triazolo[4,3-a]pyridine
• 英文别名: 6-(4-fluoro-benzyl)-3-isopropyl-[1,2,4]triazolo[4,3-a]pyridine；6-(4-Fluorobenzyl)-3-isopropyl[1,2,4]triazolo[4,3-a]pyridine；6-[(4-fluorophenyl)methyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
• CAS: 745826-95-3
• 化学式: C₁₆H₁₆FN₃
• 分子量: 269.322
• InChiKey: XBMYTUROAAOLKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  20
• 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：
  30.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (4-fluoro-phenyl)-(3-isopropyl-[1,2,4]triazolo[4,3-a]pyridin-6yl)-methanol 在 锌 disodium;carbonate 、 乙酸乙酯 、 Sodium sulfate-III 、 甲醇乙酸乙酯 、 盐酸 、 1,4-二氧六环 、 crude precipitate 作用下， 以 甲酸 为溶剂， 反应 96.0h， 以to give the title compound (175.6 mg, 21%)的产率得到6-(4-fIuorobenzyl)-3-isopropyl[1,2,4]triazolo[4,3-a]pyridine
  参考文献：
  名称：

  Triazolo-pyridines as anti-inflammatory compounds

  摘要：

  本发明涉及新型三唑并吡啶的公式，其中X为>CH2、>NH、硫、>S═O、>SO2或氧；其中所述的>CH2和>NH可以选择性地用适当的取代基取代；R1选自氢、(C1-C6)烷基和其他适当的取代基组成的群；R2选自氢、(C1-C6)烷基和其他适当的取代基组成的群；s为0-4的整数；R3为R4、R5—(NR6)—、R5—S—、R5—(S═O)—、R5—(SO2)—、R5—SO2—NR6—、R5—(NR6)—SO2—、R5—O—、R5—(C═O)—、R5—(NR6)—(C═O)—、R5—(C═O)—NR6—、R5—O—(C═O)—、R5—(C═O)—O—、R5—CR7═CR8—或R5—C≡C—；其中R3的分子量小于500 AMU，优选小于250 AMU；R4、R5和R6各自选自氢、(C1-C6)烷基和其他适当的取代基；或其药学上可接受的盐；以及制备它们的中间体、含有它们的制药组合物和它们的药用用途。本发明的化合物是MAP激酶的强力抑制剂。它们在治疗炎症、骨关节炎、类风湿性关节炎、癌症、中风或心脏病的再灌注或缺血、自身免疫性疾病和其他疾病中有用。

  公开号：

  US07321040B2

文献信息

• [EN] TRIAZOLO-PYRIDINES AS ANTI-INFLAMMATORY COMPOUNDS<br/>[FR] TRIAZOLO-PYRIDINES UTILISEES COMME COMPOSES ANTI-INFLAMMATOIRES
  申请人：PFIZER PROD INC

  公开号：WO2004072072A1

  公开（公告）日：2004-08-26

  The present invention relates to novel triazolo-pyridines of the formula (I) wherein X is >CH2, >NH, sulfur, >S=O, >S02 or oxygen; wherein said >CH2 and >NH may optionally be substituted with a suitable substituent; R1 is selected from the group consisting of hydrogen, (C1-C6)alkyl and other suitable substituents; R2 is selected from the group consisting of hydrogen, (Cl-C6)alkyl and other suitable 10 substituents; s is an integer from 0-4; R3 is R4, R5-(NR6)-, R5-S-, R5-(S=O)-, R5-(S02)-, R5-S02-NR6-, R5-(NR6)-S02-, R5-O-,R5-(C=O)-, R5-(NR6)-(C=O)-, R5-(C=O)-NR6-, R5-O-(C=O)-, R5-(C=O)-O-, R5-CR7=CR8- or R5-C=-C-; such that the molecular weight of R3 is less than 500 AMU, preferably less than 250 15 AMU; R4, R5 and R6 are each selected from the group consisting of hydrogen, (C1-C6)alkyl and other suitable substituents; or a pharmaceutically acceptable salt thereof; to intermediates for their preparation, to pharmaceutical compositions containing them and to their medicinal use. The compounds of the present invention are potent inhibitors of MAP kinases. They are useful in the treatment of inflammation, osteoarthritis, rheumatoid arthritis, cancer, reperfusion or ischemia in stroke or heart attack, autoimmune diseases and other disorders.

  本发明涉及具有以下式(I)的新型三唑吡啶，其中X为>CH2，>NH，硫，>S=O，>SO2或氧；其中所述的>CH2和>NH可以选择性地被适当的取代基取代；R1选自氢，(C1-C6)烷基和其他适当的取代基组成的群；R2选自氢，(Cl-C6)烷基和其他适当的取代基组成的群；s为0-4的整数；R3为R4，R5-(NR6)-，R5-S-，R5-(S=O)-，R5-(SO2)-，R5-SO2-NR6-，R5-(NR6)-SO2-，R5-O-，R5-(C=O)-，R5-(NR6)-(C=O)-，R5-(C=O)-NR6-，R5-O-(C=O)-，R5-(C=O)-O-，R5-CR7=CR8-或R5-C=-C-；使得R3的分子量小于500 AMU，最好小于250 AMU；R4，R5和R6分别选自氢，(C1-C6)烷基和其他适当的取代基组成的群；或其药学上可接受的盐；用于它们的制备的中间体，含有它们的药物组合物以及它们的药用。本发明的化合物是MAP激酶的有效抑制剂。它们在治疗炎症、骨关节炎、类风湿关节炎、癌症、中风或心脏病发作中的再灌注或缺血、自身免疫疾病和其他疾病中具有用途。
• DIOXOLANE THYMINE PHOSPHORAMIDATES AS ANTI-HIV AGENTS
  申请人：SOFIA MICHAEL JOSEPH

  公开号：US20090099136A1

  公开（公告）日：2009-04-16

  Disclosed are dioxolane thymine phosphoramidate compounds, compositions, and methods for using dioxolane thymine phosphoramidate compounds and compositions to treat viral infections, such as HIV infections.

  本发明涉及二氧杂环己烷胸腺嘧啶磷酰胺化合物、组合物以及使用二氧杂环己烷胸腺嘧啶磷酰胺化合物和组合物治疗病毒感染，例如HIV感染的方法。
• Novel triazolo-pyridines as anti-inflammatory compounds
  申请人：Braganza Frederick John

  公开号：US20050075365A1

  公开（公告）日：2005-04-07

  The present invention relates to novel triazolo-pyridines of the formula wherein X is >CH 2 , >NH, sulfur, >S═O, >SO 2 or oxygen; wherein said >CH 2 and >NH may optionally be substituted with a suitable substituent; R 1 is selected from the group consisting of hydrogen, (C 1 -C 6 )alkyl and other suitable substituents; R 2 is selected from the group consisting of hydrogen, (C 1 -C 6 )alkyl and other suitable substituents; s is an integer from 0-4; R 3 is R 4 , R 5 —(NR 6 )—, R 5 —S—, R 5 —(S═O)—, R 5 —(SO 2 )—, R 5 —SO 2 —NR 6 —, R 5 —(NR 6 )—SO 2 —, R 5 —O—, R 5 —(C═O)—, R 5 —(NR 6 )—(C═O)—, R 5 —(C═O)—NR 6 —, R 5 —O—(C═O)—, R 5 —(C═O)—O—, R 5 —CR 7 ═CR 8 — or R 5 —C≡C_; such that the molecular weight of R 3 is less than 500 AMU, preferably less than 250 AMU; R 4 , R 5 and R 6 are each selected from the group consisting of hydrogen, (C 1 -C 6 )alkyl and other suitable substituents; or a pharmaceutically acceptable salt thereof; to intermediates for their preparation, to pharmaceutical compositions containing them and to their medicinal use. The compounds of the present invention are potent inhibitors of MAP kinases. They are useful in the treatment of inflammation, osteoarthritis, rheumatoid arthritis, cancer, reperfusion or ischemia in stroke or heart attack, autoimmune diseases and other disorders.

  本发明涉及一种新型的三唑吡啶，其化学式为其中X为> CH2，> NH，硫，> S = O，> SO2或氧，其中所述的> CH2和> NH可以选择性地用适当的取代基进行取代；R1选自氢，（C1-C6）烷基和其他适当的取代基组成的群；R2选自氢，（C1-C6）烷基和其他适当的取代基组成的群；s为0-4的整数；R3为R4，R5-（NR6）-，R5-S-，R5-（S = O）-，R5-（SO2）-，R5-SO2-NR6-，R5-（NR6）-SO2-，R5-O-，R5-（C = O）-，R5-（NR6）-（C = O）-，R5-（C = O）-NR6-，R5-O-（C = O）-，R5-（C = O）-O-，R5-CR7 = CR8-或R5-C≡C_；使得R3的分子量小于500 AMU，最好小于250 AMU；R4，R5和R6分别选自氢，（C1-C6）烷基和其他适当的取代基；或其药学上可接受的盐；以及制备它们的中间体，含有它们的药物组合物和它们的医药用途。本发明的化合物是MAP激酶的有效抑制剂。它们用于治疗炎症，骨关节炎，类风湿性关节炎，癌症，脑卒中或心脏病的再灌注或缺血，自身免疫性疾病和其他疾病。
• Novel Triazolopyridine Compounds
  申请人：Rucker Paul V.

  公开号：US20090209577A1

  公开（公告）日：2009-08-20

  This invention is directed generally to triazolopyridine compounds that generally inhibit p38 kinase, TNF, and/or cyclooxygenase activity. Such triazolopyridine include compounds generally corresponding in structure to the following formula: wherein R 1 , R 2 and R 3 , are as defined in this specification. This invention also is directed to compositions of such triazolopyridines (particularly pharmaceutical compositions), intermediates for the syntheses of such triazolopyridines, methods for making such triazolopyridines, and methods for treating (including preventing) conditions (typically pathological conditions) associated with p38 kinase activity, TNF activity, and/or cyclooxygenase-2 activity.

  本发明通常涉及三唑并吡啶化合物，其通常抑制p38激酶、TNF和/或环氧合酶活性。这样的三唑并吡啶包括通常对应于以下结构式的化合物：其中R1、R2和R3如本说明书中所定义。本发明还涉及这种三唑并吡啶的组合物（特别是制药组合物）、合成这种三唑并吡啶的中间体、制备这种三唑并吡啶的方法，以及治疗（包括预防）与p38激酶活性、TNF活性和/或环氧合酶-2活性相关的疾病（通常是病理性疾病）的方法。
• Novel Triazolopyridine Compounds for the Treatment of Inflammation
  申请人：Rucker Paul V.

  公开号：US20090215817A1

  公开（公告）日：2009-08-27

  This invention is directed generally to triazolopyridine compounds that generally inhibit p38 kinase, TNF, and/or cyclooxygenase activity. Such triazolopyridine include compounds generally corresponding in structure to the following formula: wherein R 1 , R 2 , R 3 , R 4 , and R 5 are as defined in this specification. This invention also is directed to compositions of such triazolopyridines (particularly pharmaceutical compositions), intermediates for the syntheses of such triazolopyridines, methods for making such triazolopyridines, and methods for treating (including preventing) conditions (typically pathological conditions) associated with p38 kinase activity, TNF activity, and/or cyclooxygenase-2 activity.

  本发明通常涉及三唑并吡啶化合物，这些化合物通常抑制p38激酶、TNF和/或环氧合酶活性。这样的三唑并吡啶包括通常对应于以下结构式的化合物：其中R1、R2、R3、R4和R5如本规范中所定义。本发明还涉及这种三唑并吡啶的组合物（特别是药物组合物），用于合成这种三唑并吡啶的中间体，制备这种三唑并吡啶的方法，以及治疗（包括预防）与p38激酶活性、TNF活性和/或环氧合酶-2活性相关的疾病（通常是病理状况）的方法。