5-fluoro-3-(1-(6-(1-methyl-1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)benzo[d]isoxazole | 1443297-45-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并异恶唑
• 英文名称: 5-fluoro-3-(1-(6-(1-methyl-1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)benzo[d]isoxazole
• 英文别名: 5-fluoro-3-(1-(6-(1-methyl-1 H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)benzo[d]isoxazole；5-fluoro-3-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-1,2-benzoxazole
• CAS: 1443297-45-7
• 化学式: C₂₀H₁₉FN₆O
• 分子量: 378.409
• InChiKey: BCMSTTNXNSZKPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  72.9
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-氟-3-(4-哌啶基)-1,2-苯并异噁唑 在 盐酸 、 四(三苯基膦)钯 、 potassium carbonate 、 三乙胺 作用下， 以 1,4-二氧六环 、 乙醚 、 水 、 二甲基亚砜 为溶剂， 反应 10.5h， 生成 5-fluoro-3-(1-(6-(1-methyl-1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)benzo[d]isoxazole
  参考文献：
  名称：

  4-Bicyclic heteroaryl-piperidine derivatives as potent, orally bioavailable stearoyl-CoA desaturase-1 (SCD1) inhibitors: Part 2. Pyridazine-based analogs

  摘要：

  Design, synthesis, and biological evaluation of pyridazine-based, 4-bicyclic heteroaryl-piperidine derivatives as potent stearoyl-CoA desaturase-1 (SCD1) inhibitors are described. In a chronic study of selected analog (3e) in Zucker fa/fa (ZF) rat, dose-dependent decrease of body weight gain and plasma fatty acid desaturation index (DI) in both C16 and C18 are also demonstrated. The results indicate that the plasma fatty acid DI may serve as an indicator for direct target engagement and biomarker for SCD1 inhibition. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.12.075

文献信息

• [EN] SUBSTITUTED PIPERIDINYL-PYRIDAZINYL DERIVATIVES USEFUL AS SCD 1 INHIBITORS<br/>[FR] DÉRIVÉS DE PIPÉRIDINYL-PYRIDAZINYLE SUBSTITUÉ UTILES COMME INHIBITEURS DE SCD 1
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2013085957A1

  公开（公告）日：2013-06-13

  The present invention is directed to novel piperidinyl-pyridazinyl derivatives, pharmaceutical compositions containing them and their use as inhibitors of SCD1, useful in the treatment of obesity, type-II diabetes and other related metabolic disorders.

  本发明涉及新型哌啶基-吡啶嗪衍生物，包括含有它们的制药组合物以及它们作为SCD1抑制剂的用途，有益于治疗肥胖症、2型糖尿病和其他相关代谢紊乱。
• Substituted piperidinyl-pyridazinyl derivatives useful as SCD 1 inhibitors
  申请人：Janssen Pharmaceutica NV

  公开号：US09102669B2

  公开（公告）日：2015-08-11

  The present invention is directed to novel piperidinyl-pyridazinyl derivatives, pharmaceutical compositions containing them and their use as inhibitors of SCD1, useful in the treatment of obesity, type-II diabetes and other related metabolic disorders.

  本发明涉及新型哌啶基-吡啶嗪衍生物、含有它们的药物组合物以及它们作为SCD1抑制剂的用途，可用于治疗肥胖症、2型糖尿病和其他相关代谢性疾病。
• SUBSTITUTED PIPERIDINYL-PYRIDAZINYL DERIVATIVES USEFUL AS SCD 1 INHIBITORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20140371220A1

  公开（公告）日：2014-12-18

  The present invention is directed to novel piperidinyl-pyridazinyl derivatives, pharmaceutical compositions containing them and their use as inhibitors of SCD1, useful in the treatment of obesity, type-II diabetes and other related metabolic disorders.

  本发明涉及新型哌啶基-吡啶嗪衍生物、包含它们的药物组合物以及它们作为SCD1抑制剂的用途，适用于治疗肥胖症、2型糖尿病和其他相关代谢性疾病。
• US9102669B2
  申请人：——

  公开号：US9102669B2

  公开（公告）日：2015-08-11
• 4-Bicyclic heteroaryl-piperidine derivatives as potent, orally bioavailable stearoyl-CoA desaturase-1 (SCD1) inhibitors: Part 2. Pyridazine-based analogs
  作者：Shyh-Ming Yang、Yuting Tang、Thomas Rano、Huajun Lu、Gee-Hong Kuo、Michael D. Gaul、Yaxin Li、George Ho、Wensheng Lang、James G. Conway、Yin Liang、James M. Lenhard、Keith T. Demarest、William V. Murray

  DOI：10.1016/j.bmcl.2013.12.075

  日期：2014.3

  Design, synthesis, and biological evaluation of pyridazine-based, 4-bicyclic heteroaryl-piperidine derivatives as potent stearoyl-CoA desaturase-1 (SCD1) inhibitors are described. In a chronic study of selected analog (3e) in Zucker fa/fa (ZF) rat, dose-dependent decrease of body weight gain and plasma fatty acid desaturation index (DI) in both C16 and C18 are also demonstrated. The results indicate that the plasma fatty acid DI may serve as an indicator for direct target engagement and biomarker for SCD1 inhibition. (C) 2013 Elsevier Ltd. All rights reserved.