4,4-Difluoro-N-[1-[6-(4-fluorophenyl)-4,5-dimethyl-3-pyridazinyl]-4-piperidinyl]-N-methylcyclohexanecarboxamide | 1227070-40-7

• 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: 4,4-Difluoro-N-[1-[6-(4-fluorophenyl)-4,5-dimethyl-3-pyridazinyl]-4-piperidinyl]-N-methylcyclohexanecarboxamide
• 英文别名: 4,4-difluoro-N-[1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N-methylcyclohexane-1-carboxamide
• CAS: 1227070-40-7
• 化学式: C₂₅H₃₁F₃N₄O
• 分子量: 460.5
• InChiKey: JZWPDBZTWMBKKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  49.3
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• [EN] TETRASUBSTITUTED PYRIDAZINE HEDGEHOG PATHWAY ANTAGONISTS<br/>[FR] ANTAGONISTES DE TYPE PYRIDAZINE TÉTRASUBSTITUÉE DE LA VOIE DE SIGNALISATION HEDGEHOG
  申请人：LILLY CO ELI

  公开号：WO2010056588A1

  公开（公告）日：2010-05-20

  The present invention provides novel tetrasubstituted pyridine hedgehog pathway antagonists of the following formula I (I) or a pharmaceutically acceptable salt thereof, wherein: X is C-R1 or N; R1 is hydrogen, fluoro or cyano; R2 is formula II (II), piperidinyl, or gem di-F-substituted cyclohexyl; R3 is methyl or trifluoromethyl; R4 is pyrrolidinyl, morpholinyl or pyridyl, amino or dimethylamino; R5 is trifluoromethyl or methylsulfonyl; R6 is hydrogen or methyl; and R7, R8, R9, R10 and R11 are independently hydrogen fluoro, cyano, chloro, methyl, trifluoromethyl, trifluoromethoxy or methylsulfonyl, provided that al least two of R7, R8, R9, R10 and R11 are hydrogen useful in the treatment of cancer.

  本发明提供了以下式I（I）的新型四取代吡啶刺猬途径拮抗剂或其药学上可接受的盐，其中：X为C-R1或N；R1为氢、氟或氰基；R2为式II（II）、哌啶基或双氟取代的环己基；R3为甲基或三氟甲基；R4为吡咯啉基、吗啉基或吡啶基、氨基或二甲胺基；R5为三氟甲基或甲磺酰基；R6为氢或甲基；以及R7、R8、R9、R10和R11独立地为氢、氟、氰、氯、甲基、三氟甲基、三氟甲氧基或甲磺酰基，但至少两个R7、R8、R9、R10和R11为氢，在癌症治疗中有用。
• TETRASUBSTITUTED PYRIDAZINE HEDGEHOG PATHWAY ANTAGONISTS
  申请人：Bastian Jolie Anne

  公开号：US20110263602A1

  公开（公告）日：2011-10-27

  The present invention provides novel tetrasubstituted pyridine hedgehog pathway antagonists of the following formula I (I) or a pharmaceutically acceptable salt thereof, wherein: X is C—R 1 or N; R 1 is hydrogen, fluoro or cyano; R 2 is formula II (II), piperidinyl, or gem di-F-substituted cyclohexyl; R 3 is methyl or trifluoromethyl; R 4 is pyrrolidinyl, morpholinyl or pyridyl, amino or dimethylamino; R 5 is trifluoromethyl or methylsulfonyl; R 6 is hydrogen or methyl; and R 7 , R 8 , R 9 , R 10 and R 11 are independently hydrogen fluoro, cyano, chloro, methyl, trifluoromethyl, trifluoromethoxy or methylsulfonyl, provided that at least two of R 7 , R 8 , R 9 , R 10 and R 11 are hydrogen useful in the treatment of cancer.

  本发明提供以下式I（I）或其药学上可接受的盐的新型四取代吡啶刺猬途径拮抗剂，其中：X是C-R1或N；R1是氢、氟或氰基；R2是式II（II）、哌啶基或双氟取代的环己基；R3是甲基或三氟甲基；R4是吡咯烷基、吗啉基或吡啶基、氨基或二甲基氨基；R5是三氟甲基或甲基磺酰基；R6是氢或甲基；而R7、R8、R9、R10和R11独立地为氢、氟、氰、氯、甲基、三氟甲基、三氟甲氧基或甲基磺酰基，但至少有两个R7、R8、R9、R10和R11为氢，有用于癌症治疗。
• TETRASUBSTITUTED PYRIDAZINE AS HEDGEHOG PATHWAY ANTAGONISTS
  申请人：Eli Lilly and Company

  公开号：EP2358698B1

  公开（公告）日：2012-09-05
• US8507490B2
  申请人：——

  公开号：US8507490B2

  公开（公告）日：2013-08-13