(5-methanesulfonylpyridin-2-yl)hydrazine hydrochloride

• 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-methanesulfonylpyridin-2-yl)hydrazine hydrochloride
• 英文别名: 2-Hydrazino-5-(methylsulfonyl)pyridine hydrochloride；2-Hydrazino-5-(methanesulfonyl)pyridine hydrochloride；(5-methylsulfonylpyridin-2-yl)hydrazine;hydrochloride
• 化学式: C₆H₉N₃O₂S*ClH
• 分子量: 223.683
• InChiKey: YQROIWIBMFDIAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.19
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  93.5
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (5-methanesulfonylpyridin-2-yl)hydrazine hydrochloride 在 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.5h， 生成 2-(5-isopropoxy-3-trifluoromethyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine
  参考文献：
  名称：

  5-Heteroatom-substituted pyrazoles as canine COX-2 inhibitors: Part 2. Structure–activity relationship studies of 5-alkylethers and 5-thioethers

  摘要：

  Structure-activity relationship (SAR) studies of novel 2-[3-trifluoromethyl-5-alky](thio)ether pyrazo-1-yl]-5-methanesulfonyl pyridine derivatives for canine COX enzymes are described. The 4-cyano-5-alkyl ethers were found to have excellent potency and selectivity, whereas the 5-thioethers were potent but less selective than the ether analogs in a canine whole blood, (CWB) COX-2 assay. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.110
• 作为产物：
  描述：

  2-溴-5-(硫代甲基)吡啶 在 间氯过氧苯甲酸 、 肼 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 (5-methanesulfonylpyridin-2-yl)hydrazine hydrochloride
  参考文献：
  名称：

  2-（3-二氟甲基-5-苯基吡唑-1-基）-5-甲磺酰吡啶（一种有效的，选择性的和口服活性的犬COX-2抑制剂）的体内和体外概况。

  摘要：

  描述了新型犬COX-2选择性抑制剂2-（3-二氟甲基-5-苯基吡唑-1-基）-5-甲磺酰吡啶的合成及其体外和体内特性。吡唑8在体外和离体全血测定中均表现出对犬COX-2的出色效价和选择性。这种新型的COX-2抑制剂在口服（po），静脉内（iv）和皮下（sc）给药后也显示出良好的药代动力学特征（pk），并且在犬滑膜炎模型中显示出出色的体内功效。

  DOI：

  10.1016/j.bmc.2004.11.048

文献信息

• Acetylene derivatives as anti-inflammatory/analgesic agents
  申请人：Pfizer Inc.

  公开号：US06506779B1

  公开（公告）日：2003-01-14

  The present invention relates to compounds of the formula wherein R1, R2, R3, R4, R5, R6, X and Y are defined as 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.

  本发明涉及以下式的化合物 其中R1、R2、R3、R4、R5、R6、X和Y的定义如规范中所述，以及含有它们的药物组合物及其药用。本发明的化合物在治疗或缓解炎症及其他与炎症相关的疾病方面具有用途，如关节炎、结肠癌和阿尔茨海默病等哺乳动物，最好是人类、狗、猫和家畜。
• [EN] 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME<br/>[FR] DERIVE DE 1,2,4-TRIAZOLE, PROCEDE DE PREPARATION DE CELUI-CI ET COMPOSITION PHARMACEUTIQUE RENFERMANT CELUI-CI
  申请人：CJ CORP

  公开号：WO2004048367A1

  公开（公告）日：2004-06-10

  A 1,2,4-triazole derivative of formula 1 or a non-toxic salt thereof, a preparation method thereof, and a pharmaceutical composition containing the derivative or the salt as an active ingredient are provided.

  提供了一种公式1的1,2,4-三唑衍生物或其非毒性盐，以及其制备方法和包含该衍生物或盐作为活性成分的药物组合物。
• Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents
  申请人：Pfizer Inc.

  公开号：US06531492B1

  公开（公告）日：2003-03-11

  The present invention relates to compounds of the formula wherein R2, R3, R6 and A are defined as 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 osteoarthritis, rheumatoid arthritis, colon cancer and Alzheimer's disease, in mammals (preferably humans, dogs, cats and livestock).

  本发明涉及公式中R2、R3、R6和A如规范中定义的化合物，以及含有它们的药物组合物和它们的药用。本发明的化合物在治疗或缓解炎症和其他与炎症有关的疾病中有用，如骨关节炎、类风湿性关节炎、结肠癌和阿尔茨海默病，在哺乳动物（最好是人类、狗、猫和家畜）中。
• Synthesis and SAR of heteroaryl-phenyl-substituted pyrazole derivatives as highly selective and potent canine COX-2 inhibitors
  作者：Hengmiao Cheng、Kristin M. Lundy DeMello、Jin Li、Subas M. Sakya、Kazuo Ando、K. Kawamura、Tomoki Kato、Robert J. Rafka、Burton H. Jaynes、Carl B. Ziegler、Rod Stevens、Lisa A. Lund、Donald W. Mann、Carolyn Kilroy、Michelle L. Haven、Erik L. Nimz、Jason K. Dutra、Chao Li、Martha L. Minich、Nicole L. Kolosko、Carol Petras、Annette M. Silvia、Scott B. Seibel

  DOI：10.1016/j.bmcl.2006.01.059

  日期：2006.4

  The discovery of heteroaryl-phenyl-substituted pyrazole derivatives as canine selective COX-2 inhibitors is described. Structure-activity relationship (SAR) studies of this class of compounds led to the identification of compound 1 which demonstrated a canine whole blood COX-2 inhibitory IC50 of 12 nM and selectivity ratio of COX-1/COX-2 greater than 4000-fold.

  描述了杂芳基-苯基取代的吡唑衍生物作为犬类选择性COX-2抑制剂的发现。这类化合物的结构活性关系（SAR）研究导致化合物1的鉴定，该化合物证明犬全血对COX-2的抑制IC50为12 nM，对COX-1 / COX-2的选择性比大于4000倍。
• Pyrazole ether derivatives as anti-inflammatory/analgesic agents
  申请人：——

  公开号：US20020058681A1

  公开（公告）日：2002-05-16

  The present invention relates to compounds of the formula 1 wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , A, X and Y are defined as 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1中的化合物，其中R1、R2、R3、R4、R5、R6、R7、R8、A、X和Y的定义如规范中所述，以及含有它们的药物组合物和它们的药用。本发明的化合物在治疗或缓解炎症和其他与炎症相关的疾病方面具有用处，如关节炎、结肠癌和阿尔茨海默病等哺乳动物，最好是人类、狗、猫和家畜动物。