3-(3-trifluoromethylphenyl)-4-(2-fluoropyridin-4-yl)-6-(N-carbobenzoxypiperidin-4-yl)pyridazine | 271247-42-8

• 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: 3-(3-trifluoromethylphenyl)-4-(2-fluoropyridin-4-yl)-6-(N-carbobenzoxypiperidin-4-yl)pyridazine
• 英文别名: 3-(3-trifluoromethylphenyl) 4-(2-fluoropyridin-4-yl)-6-(N-carbobenzoxypiperidin-4-yl)pyridazine；benzyl 4-[5-(2-fluoropyridin-4-yl)-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidine-1-carboxylate
• CAS: 271247-42-8
• 化学式: C₂₉H₂₄F₄N₄O₂
• 分子量: 536.529
• InChiKey: RXWLYLWKHHRRSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  68.2
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3-(3-trifluoromethylphenyl)-4-(2-fluoropyridin-4-yl)-6-(N-carbobenzoxypiperidin-4-yl)pyridazine 在 palladium on activated charcoal 氢气 作用下， 反应 21.0h， 生成 (S)-3-(3-trifluoromethylphenyl)-4-[3-(α-methylbenzylamino)pyridin-4-yl]-6-(piperidin-4-yl)pyridazine
  参考文献：
  名称：

  Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase

  摘要：

  Novel potent trisubstituted pyridazine inhibitors of p38 MAP (mitogen activated protein) kinase are described that have activity in both cell-based assays of cytokine release and animal models of rheumatoid arthritis. They demonstrated potent inhibition of LPS-induced TNF-alpha production in mice and exhibited good efficacy in the rat collagen induced arthritis model.

  DOI：

  10.1016/j.bmcl.2005.02.010
• 作为产物：
  描述：

  2-氟-4-甲基吡啶 在 sodium hydride 、 2,3-二氯-5,6-二氰基-1,4-苯醌 、 肼 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二甲基亚砜 、 甲苯 、 叔丁醇 为溶剂， 反应 37.0h， 生成 3-(3-trifluoromethylphenyl)-4-(2-fluoropyridin-4-yl)-6-(N-carbobenzoxypiperidin-4-yl)pyridazine
  参考文献：
  名称：

  Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase

  摘要：

  Novel potent trisubstituted pyridazine inhibitors of p38 MAP (mitogen activated protein) kinase are described that have activity in both cell-based assays of cytokine release and animal models of rheumatoid arthritis. They demonstrated potent inhibition of LPS-induced TNF-alpha production in mice and exhibited good efficacy in the rat collagen induced arthritis model.

  DOI：

  10.1016/j.bmcl.2005.02.010

文献信息

• Compounds having cytokine inhibitory activity
  申请人：Merck & Co., Inc.

  公开号：US06350744B1

  公开（公告）日：2002-02-26

  There are disclosed compounds of formula (I) and pharmaceutically acceptable salts thereof which exhibit utility for the treatment of cytokine mediated diseases such as arthritis.

  公开了化合物的结构式（I）及其药学上可接受的盐，其对治疗细胞因子介导的疾病如关节炎具有实用性。
• EP1131314A4
  申请人：——

  公开号：EP1131314A4

  公开（公告）日：2002-05-02
• COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY
  申请人：Merck & Co., Inc.

  公开号：EP1131314A1

  公开（公告）日：2001-09-12
• US6350744B1
  申请人：——

  公开号：US6350744B1

  公开（公告）日：2002-02-26
• [EN] COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY<br/>[FR] COMPOSES AYANT UNE ACTIVITE INHIBITRICE DE LA CYTOKINE
  申请人：MERCK & CO INC

  公开号：WO2000031065A1

  公开（公告）日：2000-06-02

  There are disclosed compounds of formula (I) and pharmaceutically acceptable salts thereof which exhibit utility for the treatment of cytokine mediated diseases such as arthritis.