[2-[methyl(oxan-4-yl)amino]-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone | 1138085-61-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: [2-[methyl(oxan-4-yl)amino]-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
• CAS: 1138085-61-6
• 化学式: C₂₆H₃₆F₃N₃O₂
• 分子量: 479.586
• InChiKey: NNOBGKDPTAWVHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  36
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• [EN] CHEMOKINE RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE RÉCEPTEURS DE CHIMIOKINES
  申请人：ABBOTT LAB

  公开号：WO2013149376A1

  公开（公告）日：2013-10-10

  Disclosed herein are chemokine receptor antagonists of formula (I) wherein R1, R2, and R3 are as defined in the specification. Compositions comprising such compounds; and methods for treating conditions and disorders using such compounds and compositions are also described.

  本文披露了化学受体拮抗剂的化学式(I)，其中R1、R2和R3如规范中所定义。还描述了包含这种化合物的组合物；以及使用这种化合物和组合物治疗疾病和疾病的方法。
• CHEMOKINE RECEPTOR ANTAGONISTS
  申请人：ABBVIE INC.

  公开号：US20130261129A1

  公开（公告）日：2013-10-03

  Disclosed herein are chemokine receptor antagonists of formula (I) wherein R 1 , R 2 , and R 3 are as defined in the specification. Compositions comprising such compounds; and methods for treating conditions and disorders using such compounds and compositions are also described.

  本文揭示了化学受体拮抗剂的化学式(I)，其中R1、R2和R3如规范中所定义。还描述了包含这些化合物的组合物；以及使用这些化合物和组合物治疗疾病和疾病的方法。
• Octahydropentalene compounds as chemokine receptor antagonists
  申请人：George Dawn M.

  公开号：US20090118298A1

  公开（公告）日：2009-05-07

  The present invention is directed to novel compounds of Formula (I) pharmaceutically acceptable salts thereof, pro-drugs thereof, biologically active metabolites thereof, isomers thereof or stereoisomers thereof wherein the variables are as defined herein. The compounds of Formula (I) are useful as chemokine receptor antagonists and as such would be useful in treating certain conditions and diseases, especially inflammatory conditions and diseases and proliferative disorders and conditions, for example, rheumatoid arthritis, osteoarthritis, multiple sclerosis and asthma.

  本发明涉及式（I）的新化合物，其药学上可接受的盐，前药，生物活性代谢物，异构体或立体异构体，其中变量如本文所定义。公式（I）的化合物可用作趋化因子受体拮抗剂，因此可用于治疗某些疾病和疾病，特别是炎症性疾病和疾病以及增殖性障碍和疾病，例如风湿性关节炎，骨关节炎，多发性硬化和哮喘。
• OCTAHYDROPENTALENE COMPOUNDS AS CHEMOKINE RECEPTOR ANTAGONISTS
  申请人：George Dawn M.

  公开号：US20110178096A1

  公开（公告）日：2011-07-21

  The present invention is directed to novel compounds of Formula (I) pharmaceutically acceptable salts thereof, pro-drugs thereof, biologically active metabolites thereof, isomers thereof or stereoisomers thereof wherein the variables are as defined herein. The compounds of Formula (I) are useful as chemokine receptor antagonists and as such would be useful in treating certain conditions and diseases, especially inflammatory conditions and diseases and proliferative disorders and conditions, for example, rheumatoid arthritis, osteoarthritis, multiple sclerosis and asthma.

  本发明涉及公式（I）的新化合物，其药物可接受的盐，前药，生物活性代谢物，同分异构体或立体异构体，其中变量如定义所述。公式（I）的化合物可用作趋化因子受体拮抗剂，因此可用于治疗某些疾病和病症，特别是炎症性疾病和病症以及增殖性疾病和病症，例如类风湿性关节炎，骨关节炎，多发性硬化和哮喘。
• US7939544B2
  申请人：——

  公开号：US7939544B2

  公开（公告）日：2011-05-10