5-(4-Acetyl-[1,4]diazepan-1-yl)-1-(4-methanesulfonyl-phenyl)-3-trifluoromethyl-1H-pyrazole-4-carbonitrile | 521059-06-3

• 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-(4-Acetyl-[1,4]diazepan-1-yl)-1-(4-methanesulfonyl-phenyl)-3-trifluoromethyl-1H-pyrazole-4-carbonitrile
• 英文别名: 5-(4-Acetyl-1,4-diazepan-1-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
• CAS: 521059-06-3
• 化学式: C₁₉H₂₀F₃N₅O₃S
• 分子量: 455.461
• InChiKey: KJUHZYAINJBIDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  9

文献信息

• 5-Heterocyclo-pyrazoles
  申请人：——

  公开号：US20030144279A1

  公开（公告）日：2003-07-31

  The present invention relates to 5-heterocyclo-pyrazoles of the formula I: 1 wherein ring W, m, n, and R 1 through R 5 are as defined in the specification, to pharmaceutical compositions containing them and to their medicinal use. The compounds of the invention are useful in the treatment or alleviation of inflammation and other inflammation associated disorders, such as arthritis, colon cancer, and Alzheimer's disease in mammals, preferably humans, dogs, cats and livestock animals.

  本发明涉及式I的5-杂环-吡唑化合物：其中环W，m，n和R1至R5如规范中所定义，以及含有它们的药物组合物和它们的医药用途。本发明的化合物可用于治疗或缓解哺乳动物，特别是人类、狗、猫和家畜动物的炎症和其他炎症相关疾病，如关节炎、结肠癌和阿尔茨海默病。
• 5-N-heterocyclyl-1-(4-sulfonyl-phenyl)-1H-pyrazole derivatives with cyclooxygenase 2 (COX-2) inhibiting activity for the treatment of inflammatory diseases
  申请人：Pfizer Products Inc.

  公开号：EP1308161A1

  公开（公告）日：2003-05-07

  The present invention relates to 5-heterocyclo-pyrazoles of the formula I: wherein ring W, m, n, and R1 through R5 are as defined in the specification, to pharmaceutical compositions containing them and to their medicinal use. The compounds of the invention are useful in the treatment or alleviation of inflammation and other inflammation associated disorders, such as arthritis, colon cancer, and Alzheimer's disease in mammals, preferably humans, dogs, cats and livestock animals.

  本发明涉及式 I 的 5-杂环吡唑：其中环 W、m、n 和 R1 至 R5 如说明书中所定义，还涉及含有它们的药物组合物及其药用用途。 本发明的化合物可用于治疗或缓解哺乳动物（最好是人、狗、猫和家畜）的炎症和其他炎症相关疾病，如关节炎、结肠癌和阿尔茨海默病。
• US6627626B2
  申请人：——

  公开号：US6627626B2

  公开（公告）日：2003-09-30