4-哌啶-4-基苯腈 | 162997-34-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-哌啶-4-基苯腈
• 中文别名: 4-(哌啶-4-基)苯甲腈盐酸盐
• 英文名称: 4-(piperidin-4-yl)benzonitrile hydrochloride
• 英文别名: 4-(4-Cyanophenyl)-piperidine-hydrochloride；4-piperidin-4-ylbenzonitrile;hydrochloride
• CAS: 162997-34-4
• 化学式: C₁₂H₁₄N₂*ClH
• 分子量: 222.718
• InChiKey: WKZCFNFGOOKBNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.45
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  35.8
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4-哌啶-4-基苯腈 在 sodium metabisulfite 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 生成 4-(1-(2,4-dimethyl-5-(6-(pyrrolidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl)benzoyl)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
• 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 、 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-哌啶-4-基苯腈
  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 AND COMBINATIONS THEREOF<br/>[FR] MODULATEURS HÉTÉROCYCLIQUES DE LA SYNTHÈSE DES LIPIDES ET COMBINAISONS EN CONTENANT
  申请人：3 V BIOSCIENCES INC

  公开号：WO2015095767A1

  公开（公告）日：2015-06-25

  Heterocyclic modulators of lipid synthesis are provided as well as pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds; and methods of treating conditions characterized by disregulation of a fatty acid synthase pathway by the administration of such compounds and combinations of such compounds and other therapeutic agents.

  提供了杂环调节剂脂质合成以及其药用盐；包括这些化合物的药物组合物；以及通过给予这些化合物和其他治疗剂的组合来治疗脂肪酸合酶途径失调症状的方法。
• [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：WO2014008197A1

  公开（公告）日：2014-01-09

  Heterocyclic modulators of lipid synthesis are provided as well as pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds; and methods of treating conditions characterized by disregulation of a fatty acid synthase pathway by the administration of such compounds.

  提供了异环调节脂质合成的调节剂及其药用盐；包括这些化合物的药物组合物；以及通过给予这些化合物来治疗由于脂肪酸合酶途径失调而表现出的疾病的方法。
• Carboxylic acid derivatives, pharmaceutical compositions containing
  申请人：Dr. Karl Thomae GmbH

  公开号：US05442064A1

  公开（公告）日：1995-08-15

  The invention relates to carboxylic acid derivatives of general formula A--B--C--D--E--F--G (I) wherein A to G are defined as in claim 1, the tautomers thereof, the stereoisomers thereof including the mixtures thereof and the addition salts thereof, particularly the physiologically acceptable salts with inorganic or organic acids or bases, which have valuable pharmacological properties, preferably inhibitory effects on aggregation, and to pharmaceutical compositions containing the compounds and processes for preparing them.

  本发明涉及一种通式为A--B--C--D--E--F--G (I) 的羧酸衍生物，其中A至G如权利要求1所定义，其互变异构体、立体异构体及其混合物和加成盐，特别是与无机或有机酸或碱物理上可接受的盐，具有有价值的药理学性质，优选抑制聚集的效果，并且涉及包含该化合物的制药组合物和制备它们的方法。
• 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。