2-amino-N-(1-(6-(4-cyanophenyl)-4,5-dimethylpyridazin-3-yl)piperidin-4-yl)-N-methyl-4-(trifluoromethyl)thiazole-5-carboxamide monohydrochloride | 1227070-12-3

• 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: 2-amino-N-(1-(6-(4-cyanophenyl)-4,5-dimethylpyridazin-3-yl)piperidin-4-yl)-N-methyl-4-(trifluoromethyl)thiazole-5-carboxamide monohydrochloride
• 英文别名: 2-amino-N-[1-[6-(4-cyanophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;hydrochloride
• CAS: 1227070-12-3
• 化学式: C₂₄H₂₄F₃N₇OS*ClH
• 分子量: 552.023
• InChiKey: HPQAESLKFLZBHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  140
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• 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