5-Azepan-1-yl-3-difluoromethyl-1-(5-methanesulfonyl-pyridin-2-yl)-1H-pyrazole-4-carbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-Azepan-1-yl-3-difluoromethyl-1-(5-methanesulfonyl-pyridin-2-yl)-1H-pyrazole-4-carbonitrile
• 英文别名: 5-(azepan-1-yl)-3-(difluoromethyl)-1-(5-(methylsulfonyl)pyridin-2-yl)-1H-pyrazole-4-carbonitrile；5-(azepan-1-yl)-3-(difluoromethyl)-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbonitrile
• 化学式: C₁₇H₁₉F₂N₅O₂S
• 分子量: 395.433
• InChiKey: KVRANXGTKAWWAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  100
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5-Chloro-3-difluoromethyl-1-(5-methanesulfonyl-pyridin-2-yl)-1H-pyrazole-4-carbaldehyde oxime 在 potassium fluoride 、 三乙胺 、 三氯乙酰氯 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 生成 5-Azepan-1-yl-3-difluoromethyl-1-(5-methanesulfonyl-pyridin-2-yl)-1H-pyrazole-4-carbonitrile
  参考文献：
  名称：

  氟介导的5-烷基氨基和醚取代吡唑的高效合成

  摘要：

  1-（4-甲基磺酰基（或磺酰胺基）-2-吡啶基）-5-氯-4-氰基吡唑与各种胺和醇的氟化物介导的亲核取代反应在温和条件下发生，以提供5-烷基氨基和醚吡唑中等至高产。

  DOI：

  10.1016/j.tetlet.2005.08.022

文献信息

• Efficient fluoride-mediated synthesis of 5-alkyl amino- and ether-substituted pyrazoles
  作者：Andrei Shavnya、Subas M. Sakya、Martha L. Minich、Bryson Rast、Kristin Lundy DeMello、Burton H. Jaynes

  DOI：10.1016/j.tetlet.2005.08.022

  日期：2005.10

  Fluoride-mediated nucleophilic substitution reactions of 1-(4-methylsulfonyl (or sulfonamido)-2-pyridyl)-5-chloro-4-cyano pyrazoles with various amines and alcohols occur under mild conditions to provide the 5-alkyl amino and ether pyrazoles in moderate to high yields.

  1-（4-甲基磺酰基（或磺酰胺基）-2-吡啶基）-5-氯-4-氰基吡唑与各种胺和醇的氟化物介导的亲核取代反应在温和条件下发生，以提供5-烷基氨基和醚吡唑中等至高产。
• Heterocyclo-alkylsulfonyl pyrazoles
  申请人：——

  公开号：US20030149026A1

  公开（公告）日：2003-08-07

  The present invention relates to heterocyclo alkylsulfonyl pyrazoles of the formula I: 1 wherein the ring of the formula (R 5 )-A-(SO m R 4 ), m, X, 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.

  本发明涉及公式I的杂环烷基磺酰基吡唑，其中公式(R5)-A-(SOmR4)的环，m，X，R1至R5如规范中所定义，以及包含它们的制药组合物和它们的药用用途。本发明的化合物在哺乳动物中，尤其是人类、狗、猫和家畜动物中，对治疗或缓解炎症和其他与炎症有关的疾病，如关节炎、结肠癌和阿尔茨海默病等方面是有用的。
• Heterocyclo-alkylsulfonyl pyrazolesa and their use as COX-2 inhibitors
  申请人：Pfizer Products Inc.

  公开号：EP1312367A1

  公开（公告）日：2003-05-21

  The present invention relates to heterocyclo alkylsulfonyl pyrazoles of the formula I: wherein the ring of the formula (R5)-A-(SOmR4), m, X, 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 的杂环烷基磺酰基吡唑： 其中式(R5)-A-(SOmR4)的环、m、X、R1至R5如说明书中所定义，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。
• US7056933B2
  申请人：——

  公开号：US7056933B2

  公开（公告）日：2006-06-06
• [EN] HETEROCYCLO-ALKYLSULFONYL PYRAZOLES AND THEIR USE AS COX-2 INHIBITORS<br/>[FR] HETEROCYCLO-ALKYLSULFONYLE PYRAZOLES ET LEUR UTILISATION COMME INHIBITEURS DE COX-2
  申请人：PFIZER PROD INC

  公开号：WO2003037351A1

  公开（公告）日：2003-05-08

  The present invention relates to heterocyclo alkylsulfonyl pyrazoles of the formula (I), wherein the ring of the formula (R5)-A- (SOm R4), m, X, 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.