4-(1-(3-formyl-4-methylbenzoyl)piperidin-4-yl)benzonitrile | 1399181-40-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(1-(3-formyl-4-methylbenzoyl)piperidin-4-yl)benzonitrile
• 英文别名: 4-(1-(3-Formyl-4-methylbenzoyl)piperidin-4-yl)benzonitrile；4-[1-(3-formyl-4-methylbenzoyl)piperidin-4-yl]benzonitrile
• CAS: 1399181-40-8
• 化学式: C₂₁H₂₀N₂O₂
• 分子量: 332.402
• InChiKey: UGSWCIDZFWQAOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  61.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(1-(3-formyl-4-methylbenzoyl)piperidin-4-yl)benzonitrile 在 potassium permanganate 、 水 作用下， 以 四氢呋喃 为溶剂， 以80%的产率得到5-(4-(4-cyanophenyl)piperidine-1-carbonyl)-2-methylbenzoic acid
  参考文献：
  名称：

  Imidazopyridine-Based Fatty Acid Synthase Inhibitors That Show Anti-HCV Activity and in Vivo Target Modulation

  摘要：

  Potent imidazopyridine-based inhibitors of fatty acid synthase (FASN) are described. The compounds are shown to have antiviral (HCV replicon) activities that track with their biochemical activities. The most potent analogue (compound 19) also inhibits rat FASN and inhibits de novo palmitate synthesis in vitro (cell-based) as well as in vivo.

  DOI：

  10.1021/ml300335r
• 作为产物：
  描述：

  1-Boc-4-(4-溴苯基)-哌啶-4-醇 在 盐酸 、 四(三苯基膦)钯 、 palladium 10% on activated carbon 、 氢气 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 吡啶 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 4-(1-(3-formyl-4-methylbenzoyl)piperidin-4-yl)benzonitrile
  参考文献：
  名称：

  Imidazopyridine-Based Fatty Acid Synthase Inhibitors That Show Anti-HCV Activity and in Vivo Target Modulation

  摘要：

  Potent imidazopyridine-based inhibitors of fatty acid synthase (FASN) are described. The compounds are shown to have antiviral (HCV replicon) activities that track with their biochemical activities. The most potent analogue (compound 19) also inhibits rat FASN and inhibits de novo palmitate synthesis in vitro (cell-based) as well as in vivo.

  DOI：

  10.1021/ml300335r

文献信息

• [EN] HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS<br/>[FR] MODULATEURS HÉTÉROCYCLIQUES DE LA SYNTHÈSE DES LIPIDES
  申请人：3 V BIOSCIENCES INC

  公开号：WO2012122391A1

  公开（公告）日：2012-09-13

  Compounds that are fatty acid synthesis modulators are provided. The compounds may be used to treat disorders characterized by disregulation of the fatty acid synthase function by modulating the function and/or the fatty acid synthase pathway. Methods are provided for treating such disorders including viral infections, such as hepatits C infection, cancer and metabolic disorders.

  提供了一些脂肪酸合成调节剂。这些化合物可用于治疗由于调节脂肪酸合酶功能不当而表现出的紊乱的疾病，通过调节功能和/或脂肪酸合酶途径。提供了用于治疗此类疾病的方法，包括病毒感染，如丙型肝炎感染，癌症和代谢性疾病。
• Heterocyclic Modulators of Lipid Synthesis
  申请人：Oslob Johan D.

  公开号：US20120264737A1

  公开（公告）日：2012-10-18

  Compounds that are fatty acid synthesis modulators are provided. The compounds may be used to treat disorders characterized by disregulation of the fatty acid synthase function by modulating the function and/or the fatty acid synthase pathway. Methods are provided for treating such disorders including viral infections, such as hepatitis C infection, cancer and metabolic disorders.

  提供了一些脂肪酸合成调节剂化合物。这些化合物可以通过调节功能和/或脂肪酸合成途径来治疗由脂肪酸合酶功能失调所表征的疾病。提供了治疗这些疾病的方法，包括病毒感染，如丙型肝炎感染，癌症和代谢性疾病。
• Heterocyclic modulators of lipid synthesis
  申请人：Oslob Johan D.

  公开号：US08871790B2

  公开（公告）日：2014-10-28

  Compounds that are fatty acid synthesis modulators are provided. The compounds may be used to treat disorders characterized by disregulation of the fatty acid synthase function by modulating the function and/or the fatty acid synthase pathway. Methods are provided for treating such disorders including viral infections, such as hepatitis C infection, cancer and metabolic disorders.

  提供了一些脂肪酸合成调节剂化合物。这些化合物可以通过调节功能和/或脂肪酸合成途径来治疗其功能失调的疾病。提供了治疗此类疾病的方法，包括病毒感染（如丙型肝炎感染）、癌症和代谢性疾病。
• HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS
  申请人：3-V BIOSCIENCES, INC.

  公开号：US20140322355A1

  公开（公告）日：2014-10-30

  Compounds that are fatty acid synthesis modulators are provided. The compounds may be used to treat disorders characterized by disregulation of the fatty acid synthase function by modulating the function and/or the fatty acid synthase pathway. Methods are provided for treating such disorders including viral infections, such as hepatitis C infection, cancer and metabolic disorders.

  提供了一些脂肪酸合成调节剂化合物。这些化合物可以通过调节功能和/或脂肪酸合成途径来治疗特征为脂肪酸合成酶功能失调的疾病。提供了用于治疗这些疾病的方法，包括病毒感染（如丙型肝炎感染）、癌症和代谢性疾病。
• US8871790B2
  申请人：——

  公开号：US8871790B2

  公开（公告）日：2014-10-28